# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-16T09:33:23+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C m c m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000027","5.182","0.015","7.893","0.002","6.506","0.016","90","","90","","90","","266.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","","Rentzeperis, P J; Soldatos, C T","The Crystal Structure of the Anhydrous Magnesium Sulfate","Acta Crystallographica (1,1948-23,1967)","1958","11","","686","688","10.1107/S0365110X58001857","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000077","7.276","0.002","12.48","0.003","7.364","0.002","90","","90","","90","","668.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Chromium fluoride ammonia *","","- Cr F3 H0.0999 N0.0333 -","- Cr F3 H0.1 N0.0333333 -","- Cr12 F36 H1.2 N0.4 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1000078","7.425","0.009","12.835","0.017","7.563","0.002","90","","90","","90","","720.8","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Vanadium(III) fluoride (0.03/1/3)","","- F3 H0.0801 N0.0267 V -","- F3 H0.08 N0.0266667 V -","- F36 H0.96 N0.32 V12 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:09",""
"1000085","7.418","0.002","25.67","0.005","14.624","0.002","90","","90","","90","","2784.7","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dirubidium pentachromium fluoride","","- Cr5 F17 Rb2 -","- Cr5 F17 Rb2 -","- Cr40 F136 Rb16 -","8","0.5","","Laligant, Y; Le Bail, A; Ferey, G","Crystal structure determination of Rb~2~Cr~5~F~17~","European Journal of Solid State Inorganic Chemistry","1989","26","","445","454","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000187","7.423","0.003","12.73","0.004","7.526","0.003","90","","90","","90","","711.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Iron(III) fluoride hydrate (1/3/.33)","","- F3 Fe H0.66 O0.33 -","- F3 Fe H0.666667 O0.333333 -","- F36 Fe12 H8 O4 -","12","0.75","","Leblanc, M; Ferey, G; Chevalier, P; Calage, Y; de Pape, R","Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H~2~O)~0.33~FeF~3~; Crystal Structure, Magnetic Properties, Dehydration to a New Form of Iron Trifluoride","Journal of Solid State Chemistry","1983","47","","53","58","10.1016/0022-4596(83)90041-5","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:37",""
"1000200","9.604","0.004","8.379","0.004","7.542","0.002","90","","90","","90","","606.9","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","DIRUBIDIUM ALUMINIUM PENTAFLUORIDE MONOHYDRATE","","- Al F5 H2 O Rb2 -","- Al F5 H2.5 O Rb2 -","- Al4 F20 H10 O4 Rb8 -","4","0.25","","Fourquet, J L; Plet, F; de Pape, R","La structure cristalline de Rb~2~ Al F~5~, H~2~ O. Retour critique sur le type structural Tl~2~ Al F~5~","Revue de Chimie Minerale","1981","18","","19","26","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000238","6.931","0.003","12.002","0.006","7.134","0.002","90","","90","","90","","593.4","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Aluminium trifluoride - $-beta","","- Al F3 -","- Al F3 -","- Al12 F36 -","12","0.75","","LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L","Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F~3~ and the gallium and indium homologs","Journal of Solid State Chemistry","1988","77","","96","101","10.1016/0022-4596(88)90095-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000262","9.2","0.003","8.119","0.004","7.486","0.003","90","","90","","90","","559.2","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dipotassium pentafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H2 K2 O -","- Al4 F20 H8 K8 O4 -","4","0.25","","Fourquet, J L; Boulard, B; Plet, F","K~2~ Al F~5~ H~2~ O: Location of Hydrogen Atoms by X-Ray Diffraction and Raman Spectroscopy Study","Journal of Solid State Chemistry","1989","81","","35","39","10.1016/0022-4596(89)90198-9","","","","","","0.0383","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000321","4.889","0.001","8.539","0.003","9.588","0.003","90","","90","","90","","400.3","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Barium copper carbonate difluoride","","- C Ba Cu F2 O3 -","- C Ba Cu F2 O3 -","- C4 Ba4 Cu4 F8 O12 -","4","0.25","","Mercier, N; Leblanc, M","Existence of 3d transition metal fluorocarbonates: synthesis, characterization of BaM(CO~3~)F~2~ (M=Mn, Cu) and crystal structure of BaCu(CO~3~)F~2~","European Journal of Solid State Inorganic Chemistry","1993","30","","217","225","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000348","3.5837","0.0004","9.854","0.001","9.537","0.001","90","","90","","90","","336.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Manganese aluminium fluoride","","- Al F5 Mn -","- Al F5 Mn -","- Al4 F20 Mn4 -","4","0.25","","Ferey, G; Leblanc, M; Mercier, A - M","A new refinement of the crystal structure of MnAlF~5~: new structural correlations with MnCrF~5~ and Cr~2~F~5~ using orthogonal subcell twinning","Journal of Solid State Chemistry","1993","102","","9","19","10.1006/jssc.1993.1003","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000361","11.519","0.003","13.456","0.003","5.974","0.001","90","","90","","90","","926","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Tribarium scandium carbonate heptafluoride","","- C Ba3 F7 O3 Sc -","- C Ba3 F7 O3 Sc -","- C4 Ba12 F28 O12 Sc4 -","4","0.25","","Mercier, N.; Leblanc, M.","A scandium fluorocarbonate, Ba~3~Sc(CO~3~)F~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","12","1862","1864","10.1107/s0108270194007328","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000379","3.3255","0.0001","11.022","0.001","10.479","0.001","90","","90","","90","","384.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium dithallate","","- Ca O4 Tl2 -","- Ca O4 Tl2 -","- Ca4 O16 Tl8 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000380","3.3431","0.0001","11.159","0.001","13.499","0.001","90","","90","","90","","503.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium thallium oxide (1.9/2.1/5)","","- Ca1.88 O5 Tl2.12 -","- Ca1.88 O5 Tl2.12 -","- Ca7.52 O20 Tl8.48 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000393","5.9422","0.0005","26.39499","0.003","5.959","0.0005","90","","90","","90","","934.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Tribarium tantalum oxide nonafluoride","","- Ba3 F9 O Ta -","- Ba3 F9 O Ta -","- Ba12 F36 O4 Ta4 -","4","0.25","","Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Laligant, Y","Synthesis and crystal structure of Ba3 Ta O F9","European Journal of Solid State Inorganic Chemistry","1995","92","","457","468","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000475","7.21","0.001","12.398","0.002","7.333","0.001","90","","90","","90","","655.5","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Gallium fluoride hydrate (1/3/0.07) - $-beta","","- F3 Ga H0.07 O0.07 -","- F3 Ga H0.22 O0.0733333 -","- F36 Ga12 H2.64 O0.88 -","12","0.75","","LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L","Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F3 and the gallium and indium homologs","Journal of Solid State Chemistry","1988","77","","96","101","10.1016/0022-4596(88)90095-3","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001235","6.611","0.004","8.88","0.008","30.154","0.018","90","","90","","90","","1770.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium hexatitanium pentaniobium oxide","","- K Nb5 O25 Ti6 -","- K Nb5 O25 Ti6 -","- K4 Nb20 O100 Ti24 -","4","0.25","","Groult, D; Raveau, B","K Ti~6~ Nb~5~ O~25~: A member of a series of chemically twinned Rutile oxides (A M~3~ O~9~)(M~2~ O~4~)~n~","Materials Research Bulletin","1983","18","","141","146","10.1016/0025-5408(83)90074-0","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001353","6.639","0.007","8.957","0.011","21.145","0.016","90","","90","","90","","1257.4","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Barium titanium niobium oxide (1/3/4/17)","","- Ba Nb4 O17 Ti3 -","- Ba Nb4 O17 Ti3 -","- Ba4 Nb16 O68 Ti12 -","4","0.25","","Mezaoui, D; Michel, C; Groult, D; Raveau, B","A M~3~ O~9~ (M~2~ O~4~)~n~: A series of oxides derived from the rutile structure by chemical twinning","Materials Research Bulletin","1986","21","","1039","1044","10.1016/0025-5408(86)90218-7","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005006","3.8862","0.0001","10.2118","0.0002","10.2624","0.0003","90","","90","","90","","407.3","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tritantalum nitride","","- N5 Ta3 -","- N5 Ta3 -","- N20 Ta12 -","4","0.25","","Brese, N E; O'Keefe, M; Rauch, P; DiSalvo, F J","Structure of Ta~3~N~5~ at 16 K by time-of-flight neutron diffraction","Acta Crystallographica C (39,1983-)","1991","47","","2291","2294","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005013","8.544","","10.38","","5.064","","90","","90","","90","","449.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tricalcium trinitridovanadate(III)","","- Ca3 N3 V -","- Ca3 N3 V -","- Ca12 N12 V4 -","4","0.25","","Vennos, D A; DiSalvo, F J","Synthesis and characterization of a new ternary nitride, Ca~3~VN~3~","Journal of Solid State Chemistry","1992","100","","401","401","10.1016/0022-4596(92)90118-F","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005042","3.995","0.001","10.197","0.002","10.331","0.002","90","","90","","90","","420.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sodium pentanitridotantalo(IV)ditantalate","","- N5 Na Ta3 -","- N5 Na Ta3 -","- N20 Na4 Ta12 -","4","0.25","","Clarke, S J; DiSalvo, F J","A new conducting ternary nitride : Nax Ta3 N5 (0<x<1.4)","Journal of Solid State Chemistry","1997","132","","394","398","10.1006/jssc.1997.7481","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005044","13.769","0.002","8.0412","0.0008","9.3482","0.001","90","","90","","90","","1035","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dicerium nonapalladium triantimonide","","- Ce2 Pd9 Sb3 -","- Ce2 Pd9 Sb3 -","- Ce8 Pd36 Sb12 -","4","0.25","","Gordon, R A; DiSalvo, F J; Poettgen, R; Brese, N E","Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3","Journal of the Chemical Society. Faraday Transactions","1996","92","12","2167","2171","10.1039/ft9969202167","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005045","8.503","0.002","10.284","0.002","5.032","0.001","90","","90","","90","","440","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tricalcium chromium trinitride","","- Ca3 Cr N3 -","- Ca3 Cr N3 -","- Ca12 Cr4 N12 -","4","0.25","","Vennos, D A; Badding, M E; Disalvo, F J","Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3","Inorganic Chemistry","1990","29","","4059","4062","10.1021/ic00345a030","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005053","11.6291","0.0008","13.4159","0.001","12.0862","0.0009","90","","90","","90","","1885.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Nonacalcium octachloride bis(dicarbidoborate)","","- C4 B2 Ca9 Cl8 -","- C4 B2 Ca9 Cl8 -","- C16 B8 Ca36 Cl32 -","4","0.25","","Reckeweg, O; DiSalvo, F J; Meyer, H-J","An expected calcium carbido borate chloride:Ca9 Cl8 (B C2)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1408","1410","10.1002/(SICI)1521-3749(199909)625:9<1408::AID-ZAAC1408>3.0.CO;2-O","","","","","","0.0707","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1006165","8.1293","0.0001","17.73192","0.00003","5.11877","0.00001","90","","90","","90","","737.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium iron germanide (1/6/6)","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Schobinger-Papamantellos, P; Oleksyn, O; Rodriguez-Carvajal, J; Andre, G; Brueck, E; Buschow, K H J","Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements (I).","Journal of Magnetism and Magnetic Materials","1998","182","","96","110","10.1016/S0304-8853(97)01012-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006166","8.13071","0.00009","17.69899","0.0003","5.12618","","90","","90","","90","","737.7","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium hexairon hexagermanide","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Zaharko, O; Schobinger-Papamantellos, P; Ritter, C; Rodriguez-Carvajal, J; Buschow, K H J","Influence of thermal history on crystal structure, microstructure and magnetic properties of Tb Fe6 Ge6 (II)","Journal of Magnetism and Magnetic Materials","1998","187","","293","308","10.1016/S0304-8853(98)00148-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006167","8.1293","0.0001","17.73192","0.00003","5.11877","0.00001","90","","90","","90","","737.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium hexairon hexagermanide","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Zaharko, O; Schobinger-Papamantellos, P; Ritter, C; Rodriguez-Carvajal, J; Buschow, K H J","Influence of thermal history on crystal structure, microstructure and magnetic properties of Tb Fe6 Ge6 (II)","Journal of Magnetism and Magnetic Materials","1998","187","","293","308","10.1016/S0304-8853(98)00148-6","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006168","8.1292","0.0001","17.73227","0.00003","5.11886","0.00001","90","","90","","90","","737.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium hexairon hexagermanide","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Zaharko, O; Schobinger-Papamantellos, P; Ritter, C; Rodriguez-Carvajal, J; Buschow, K H J","Influence of thermal history on crystal structure, microstructure and magnetic properties of Tb Fe6 Ge6 (II)","Journal of Magnetism and Magnetic Materials","1998","187","","293","308","10.1016/S0304-8853(98)00148-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007165","10.63","0.004","14.229","0.005","23.91","0.03","90","","90","","90","","3616.5","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Bismuth silver oxide (4/18/12)","","- Ag18 Bi4 O12 -","- Ag18 Bi4 O12 -","- Ag72 Bi16 O48 -","4","0.25","","Masse, R.; Tordjman, I.; Durif, A.","Etude structurale d'un sous-oxyde d'argent bismuth Bi~4~Ag~18~O~12~","Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre","1986","302","9","631","633","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","199774","2020-10-21","18:00:00",""
"1007200","17.254","0.005","7.543","0.001","23.465","0.005","90","","90","","90","","3053.9","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Nonasilver sodium cyclo-octaphosphate bis(nitrate) tetrahydrate","","- Ag9 H8 N2 Na O34 P8 -","- Ag9 H8 N2 Na O34 P8 -","- Ag36 H32 N8 Na4 O136 P32 -","4","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of nonasilver sodium cyclooctaphosphate dinitrate tetrahydrate: Ag~9~NaP~8~O~24~(NO~3~)~2~ . 4H~2~O","Acta Crystallographica C (39,1983-)","1992","48","","1173","1176","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008082","5.482","","8.237","","6.147","","90","","90","","90","","277.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","NICKEL CHROMATE","","- Cr Ni O4 -","- Cr Ni O4 -","- Cr4 Ni4 O16 -","4","0.25","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.112","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008083","5.497","","8.368","","6.147","","90","","90","","90","","282.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Magnesium chromate - $-alpha","","- Cr Mg O4 -","- Cr Mg O4 -","- Cr4 Mg4 O16 -","4","0.25","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.126","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008084","5.678","","8.723","","6.926","","90","","90","","90","","343","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cadmium chromate - $-alpha","","- Cd Cr O4 -","- Cd Cr O4 -","- Cd4 Cr4 O16 -","4","0.25","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.209","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008104","5.524","","8.308","","6.234","","90","","90","","90","","286.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cobalt chromate","","- Co Cr O4 -","- Co Cr O4 -","- Co4 Cr4 O16 -","4","0.25","","Pernet, M; Quezel, G; Coing-Boyat, J; Bertaut, E F","Structures magnetiques des chromates de cobalt et de nickel","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1969","92","","264","273","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008105","5.484","","8.22","","6.127","","90","","90","","90","","276.2","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nickel chromate","","- Cr Ni O4 -","- Cr Ni O4 -","- Cr4 Ni4 O16 -","4","0.25","","Pernet, M; Quezel, G; Coing-Boyat, J; Bertaut, E F","Structures magnetiques des chromates de cobalt et de nickel","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1969","92","","264","273","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008276","4.25","0.001","13.99","0.003","16.38","0.003","90","","90","","90","","973.9","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony disulfide triiodide","","- I3 S2 Sb Sn2 -","- I3 S2 Sb Sn2 -","- I12 S8 Sb4 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","833","913","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008277","4.275","0.001","14.059","0.003","16.465","0.003","90","","90","","90","","989.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony disulfide triiodide","","- I3 S2 Sb Sn2 -","- I3 S2 Sb Sn2 -","- I12 S8 Sb4 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008278","4.298","0.003","14.085","0.005","17.222","0.008","90","","90","","90","","1042.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony diselenide triiodide","","- I3 Sb Se2 Sn2 -","- I3 Sb Se2 Sn2 -","- I12 Sb4 Se8 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008374","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.25","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008440","4.103","0.003","17.04","0.03","4.016","0.003","90","","90","","90","","280.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Praseodymium iron silicide (1/1/2)","","- Fe Pr Si2 -","- Fe Pr Si2 -","- Fe4 Pr4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008441","4.103","0.003","17.04","0.03","4.016","0.003","90","","90","","90","","280.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Praseodymium iron silicide (1/1/2)","","- Fe Pr Si2 -","- Fe Pr Si2 -","- Fe4 Pr4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008442","4.082","0.003","16.98","0.03","4.004","0.003","90","","90","","90","","277.5","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008443","4.072","0.001","16.896","0.004","3.996","0.001","90","","90","","90","","274.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008444","4.072","0.001","16.896","0.004","3.996","0.001","90","","90","","90","","274.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008465","9.787","0.004","7.395","0.003","6.168","0.002","90","0","90","0","90","0","446.4","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dipotassium catena-phosphidoaurate","","- Au K2 P -","- Au K2 P -","- Au4 K8 P4 -","4","0.25","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of dipotassium catena-phosphidoaurate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","277","278","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008532","9.688","0.002","8.002","0.001","8.339","0.001","90","","90","","90","","646.5","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium catena-pentafluoromanganate(III) hydrate","","- F5 H2 Mn O Tl2 -","- F5 H4 Mn O Tl2 -","- F20 H16 Mn4 O4 Tl8 -","4","0.25","","Nunez, P; Tressaud, A; Darriet, J; Hagenmuller, P; Hahn, G; Frenzen, G; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new linear chain compound: crystal and magnetic structures of Tl~2~MnF~5~.H~2~O","Inorganic Chemistry","1992","31","","770","774","10.1021/ic00031a015","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008533","9.526","0.002","7.861","0.001","8.317","0.001","90","","90","","90","","622.8","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium catena-pentafluoromanganate(III) hydrate","","- F5 H2 Mn O Tl2 -","- F5 H4 Mn O Tl2 -","- F20 H16 Mn4 O4 Tl8 -","4","0.25","","Nunez, P; Tressaud, A; Darriet, J; Hagenmuller, P; Hahn, G; Frenzen, G; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new linear chain compound: crystal and magnetic structures of Tl~2~MnF~5~.H~2~O","Inorganic Chemistry","1992","31","","770","774","10.1021/ic00031a015","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008886","8.11975","0.0001","17.72995","0.00003","5.11821","0.00001","90","","90","","90","","736.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yttrium iron germanide (1/6/6)","","- Fe6 Ge6 Y -","- Fe6 Ge6 Y -","- Fe24 Ge24 Y4 -","4","0.25","","Schobinger-Papamantellos, P; Buschow, K H J; de Boer, F R; Ritter, C; Isnard, O; Fauth, F","The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf) studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1998","267","","59","65","10.1016/S0925-8388(97)00548-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010265","3.72","","14.61","","3.67","","90","","90","","90","","199.5","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zirconium silicide (1/2)","","- Si2 Zr -","- Si2 Zr -","- Si8 Zr4 -","4","0.25","","Naray-Szabo, S","Die Struktur des Zirkoniumsilicids Zr Si~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","223","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010866","7.86","","16.62","","5.65","","90","","90","","90","","738.1","","","","","","","","","","","","from Northern Rhodesia.","10","C m c m","-C 2c 2","63","","Aluminium cobalt iron hydrogen manganese magnesium nickel titanium silicate *","Staurolite cobaltiferous","- Al17.01 Co1.93 Fe1.87 H2.26 Mg1.09 Mn0.02 Ni0.2 O47.3 Si7.75 Ti0.11 -","","","8","0.5","","Skerl, A C; Bannister, F A; Groves, A W","Lusakite, a cobalt-bearing silicate from Northern Rhodesia.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1934","23","","598","606","10.1180/minmag.1934.023.146.03","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011342","3.725","","9.79","","9.93","","90","","90","","90","","362.1","","","","","","","","","","","","from Aranyer Berg, Transylvania","3","C m c m","-C 2c 2","63","","Diiron(III) titanate dioxide","Pseudobrookite","- Fe2 O5 Ti -","- Fe2 O5 Ti -","- Fe8 O20 Ti4 -","4","0.25","","Pauling, L","The crystal structure of pseudobrookite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","73","","97","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011359","5.24","0.02","4.57","0.02","12.92","0.01","90","","90","","90","","309.4","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Thallium iodide - low-temperature phase","","- I Tl -","- I Tl -","- I4 Tl4 -","4","0.25","","Helmholz, L","The crystal structure of the low temperature modification of thallous iodide.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","129","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011379","9.19","0.01","8.11","0.01","7.45","0.01","90","","90","","90","","555.3","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dipotassium petafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H3 K2 O -","- Al4 F20 H12 K8 O4 -","4","0.25","","Brosset, C","Herstellung und Kristallbau der Verbindungen Tl Al F4 und Tl2 Al F5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","139","147","10.1002/zaac.19372350119","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100438","14.217","0.002","16.97","0.002","19.746","0.002","90","","90","","90","","4763.97","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C17 H49 Cl13 N3 O2 P5 Ti3 -","- C66 H210 Cl33 N5 O8 P7 Ti5 -","- C264 H840 Cl132 N20 O32 P28 Ti20 -","4","0.25","","Miekisch, Thomas; Harms, Klaus; Wocadlo, Sigrid; Massa, Werner; Neumüller, Bernhard; Frommen, Christoph; Dehnicke, Kurt","Die Kristallstruckturen der Phosphaniminato-Komplexe. [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl und [V~2~^III/IV^Cl~4~(NPPh~3~)~3~] / Crystal Structures of the Phosphoraneiminato Complexes [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl and [V~2~^III/IV^Cl~4~(NPPh~3~)~3~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","12","1484","1490","10.1515/znb-1997-1208","","","","","","","","","","","","","","","","","","","","","has coordinates","177128","2020-10-21","18:00:00",""
"1100971","5.787","0.002","8.807","0.003","6.41","0.002","90","","90","","90","","326.69","0.19","293","1","293","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Mn O4 V -","- Cu Mn O4 V -","- Cu4 Mn4 O16 V4 -","4","0.25","","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet; Michael Banks; Reinhard K. Kremer; Antoine Villesuzanne; Myung-Hwan Whangbo","Synthesis, Crystal Structure, Magnetic Properties, and Electronic Structure of the New Ternary Vanadate CuMnVO4","Inorganic Chemistry","2005","44","","3087","3093","10.1021/ic048244y","","","0.71069","MoKα","","0.0356","0.0356","","","0.1091","0.1091","","","","1.71","1.71","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101175","7.467","0.0005","13.8824","0.0009","9.3289","0.0006","90","","90","","90","","967.03","0.11","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C0.5 H2 O2.5 P0.5 V0.5 -","- C0.5 H2 O2.5 P0.5 V0.5 -","- C8 H32 O40 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101177","7.4362","0.0005","19.1491","0.0012","9.3446","0.0006","90","","90","","90","","1330.64","0.15","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C H4 O3 P0.5 V0.5 -","- C H2.5 O3 P0.5 V0.5 -","- C16 H40 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1507767","3.6121","0.0003","14.952","0.0012","5.2692","0.0004","90","","90","","90","","284.58","0.04","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al F4 Na -","- Al F4 Na -","- Al4 F16 Na4 -","4","0.25","","Le Bail, A","Crystal structure of NaAlF4, a new aristotype","Powder Diffraction","2009","24","4","301","305","10.1154/1.3257603","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508417","4.5383","0.0006","12.2486","0.0016","14.3747","0.0019","90","","90","","90","","799.06","0.18","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ga1.79 Sn4.21 -","- Ba Ga1.79 Sn4.21 -","- Ba4 Ga7.16 Sn16.84 -","4","0.25","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0306","0.0258","","","0.0588","0.0606","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508998","3.116","","4.89","","4.779","","90","","90","","90","","72.819","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Silver cadmium (0.53/0.47) - LT","","- Ag0.53 Cd0.47 -","- Ag0.53 Cd0.47 -","- Ag2.12 Cd1.88 -","4","0.25","","Masson, D.B.; Barrett, C.S.","Effect of deformation and low temperatures on the structures of Ag Cd and Au Zn","Transactions of the Metallurgical Society of Aime","1958","212","","260","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509163","4.058","","11.457","","4.654","","90","","90","","90","","216.376","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ag Ca -","- Ag Ca -","- Ag4 Ca4 -","4","0.25","","Merlo, F.","Crystal structures of Ca Ag, Ca Au und Sr Zn","Journal of the Less-Common Metals","1982","86","","241","246","10.1016/0022-5088(82)90209-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509225","4.239","","14.03","","10.636","","90","","90","","90","","632.557","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba Y Ag Se3","","- Ag Ba Se3 Y -","- Ag Ba Se3 Y -","- Ag4 Ba4 Se12 Y4 -","4","0.25","","Ibers, J.A.; Christuk, A.E.; Wu, P.","New quaternary chalcogenides BaLnMQ3 (Ln=rare earth or Sc; M=Cu,Ag; Q=S,Se). II. Structure and property variation vs rare-earth element","Journal of Solid State Chemistry","1994","110","","337","344","10.1006/jssc.1994.1177","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509226","4.4773","","14.856","","11.336","","90","","90","","90","","754.011","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba (Y Ag Te3)","","- Ag Ba Te3 Y -","- Ag Ba Te3 Y -","- Ag4 Ba4 Te12 Y4 -","4","0.25","","Ibers, J.A.; Yang, Y.-T.","Synthesis and characterisation of a series of quaternary chalcogenides Ba Ln M Q3 (Ln = rare earth, M = coinage metal, Q = Se or Te)","Journal of Solid State Chemistry","1999","147","","366","371","10.1006/jssc.1999.8359","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509234","3.971","","13.712","","8.824","","90","","90","","90","","480.47","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ag Bi S Cl2","","- Ag Bi Cl2 S -","- Ag Bi Cl2 S -","- Ag4 Bi4 Cl8 S4 -","4","0.25","","Soehnel, T.; Poudeu Poudeu, P.F.; Ruck, M.","Synthese, Kristallstruktur und elektronische Bandstruktur der isotypen Sulfidchloride Cu Bi S Cl2 und Ag Bi S Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","63","67","10.1002/zaac.200300248","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509264","4.3736","","19.199","","5.685","","90","","90","","90","","477.362","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs Ag Cl2","","- Ag Cl2 Cs -","- Ag Cl2 Cs -","- Ag4 Cl8 Cs4 -","4","0.25","","Hoppe, R.; Meyer, G.; Gaebell, H.C.","Ueber Chloroargentate(I): Cs Ag Cl2 und schwarzes Cs Ag Cl2+x","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","497","","199","205","10.1002/zaac.19834970219","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509528","3.3755","","14.0608","","7.7486","","90","","90","","90","","367.766","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ag (Ta S3)","","- Ag S3 Ta -","- Ag S3 Ta -","- Ag4 S12 Ta4 -","4","0.25","","Marsh, R.E.","The space group of Ag Ta S3","Journal of Solid State Chemistry","1993","102","","283","283","10.1006/jssc.1993.1034","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509834","11.91","","13.614","","11.679","","90","","90","","90","","1893.67","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag3.6 Mo9 Se11 -","- Ag3.604 Mo9 Se11 -","- Ag14.416 Mo36 Se44 -","4","0.25","","Potel, M.; le Marouille, J.Y.; Gougeon, P.; Padiou, J.; Sergent, M.","Ag3.6 Mo9 Se11: Premier compose a clusters Mo9 dans des motifs Mo9 Se11","Journal of Solid State Chemistry","1984","51","","218","226","10.1016/0022-4596(84)90337-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509901","11.026","","8.723","","5.52","","90","","90","","90","","530.912","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag4.8 Al5.2 Ba2 -","- Ag4.83 Al5.17 Ba2 -","- Ag9.66 Al10.34 Ba4 -","2","0.125","","Cordier, G.; Roehr, C.","Zur Kenntnis der ternaeren Aluminide Ba5 Cu1.9 Al3.1, Ba Ag2.4 Al2.6, Ba16 Ag7 Al27 und Ba3 Ag14.6 Al6.4","Journal of the Less-Common Metals","1991","170","","333","357","10.1016/0022-5088(91)90337-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509985","4.2943","","15.424","","17.501","","90","","90","","90","","1159.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Gd2 Ag3 Se5","","- Ag3 Cs Gd2 Se5 -","- Ag3 Cs Gd2 Se5 -","- Ag12 Cs4 Gd8 Se20 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","10.1006/jssc.2001.9110","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510003","4.2779","","15.429","","17.426","","90","","90","","90","","1150.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Tb2 Ag3 Se5","","- Ag3 Cs Se5 Tb2 -","- Ag3 Cs Se5 Tb2 -","- Ag12 Cs4 Se20 Tb8 -","4","0.25","","Ibers, J.A.; Huang, F.Q.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","10.1006/jssc.2001.9110","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510037","4.3223","","15.229","","17.42","","90","","90","","90","","1146.66","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Sm2 Ag3 Se5","","- Ag3 Rb Se5 Sm2 -","- Ag3 Rb Se5 Sm2 -","- Ag12 Rb4 Se20 Sm8 -","4","0.25","","Huang Fuqiang; Ibers, J.A.","Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5","Journal of Solid State Chemistry","2000","151","","317","322","10.1006/jssc.2000.8661","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510060","4.5635","","10.748","","7.5969","","90","","90","","90","","372.617","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca Au In2","","- Au Ca In2 -","- Au Ca In2 -","- Au4 Ca4 In8 -","4","0.25","","Kuennen, B.; Landrum, G.A.; Poettgen, R.; Kotzyba, G.; Dronskowski, R.; Hoffmann, R.D.","Synthesis, structure, chemical bonding and properties of CaTIn2 (T = Pd, Pt, Au) - the case for monovalent calcium","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","789","798","10.1002/(SICI)1521-3749(199905)625:5<789::AID-ZAAC789>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510065","3.58139","","18.06421","","4.91905","","90","","90","","90","","318.238","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca2 Au N","","- Au Ca2 N -","- Au Ca2 N -","- Au4 Ca8 N4 -","4","0.25","","Henry, P.F.; Weller, M.T.","Ca2 Au N : a nitride containing infinite zigzag gold chains","Angew. Chem. Int. ed.","1998","37","","2855","2857","10.1002/(SICI)1521-3773(19981102)37:20<2855::AID-ANIE2855>3.0.CO;2-S","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510090","4.02","","11.867","","8.773","","90","","90","","90","","418.519","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Au Te2 Cl","","- Au Cl Te2 -","- Au Cl Te2 -","- Au4 Cl4 Te8 -","4","0.25","","Rosenstein, G.; Haendler, H.M.; Rabenau, A.; Mootz, D.","The Crystal Structures of Au Te2 Cl and Au Te2 I","Journal of Solid State Chemistry","1974","10","","175","181","10.1016/0022-4596(74)90024-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510104","7.165","","8.625","","6.862","","90","","90","","90","","424.059","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs (Au Se)","","- Au Cs Se -","- Au Cs Se -","- Au4 Cs4 Se4 -","4","0.25","","Kathage, H.U.; Bronger, W.","Zur Synthese und Kristallstruktur von Alkalimetall-Gold-Chalcogeniden AAuX mit A=Na,K,Rb oder Cs und X = S, Se oder Te","Journal of Alloys Compd.","1992","184","","87","94","10.1016/0925-8388(92)90457-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510123","3.65","","10.81","","4.58","","90","","90","","90","","180.711","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Au Er -","- Au Er -","- Au4 Er4 -","4","0.25","","Bruzzone, G.; Palenzona, A.; Gschneidner, K.A.jr.; McMasters, O.D.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510204","6.304","","7.85","","6.52","","90","","90","","90","","322.651","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K Au S","","- Au K S -","- Au K S -","- Au4 K4 S4 -","4","0.25","","Klepp, K.O.; Bronger, W.","Darstellung und Kristallstruktur von K Au S und K Au Se","Journal of the Less-Common Metals","1987","128","","65","71","10.1016/0022-5088(87)90192-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510205","6.49423","","8.107","","6.672","","90","","90","","90","","351.272","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K Au Se","","- Au K Se -","- Au K Se -","- Au4 K4 Se4 -","4","0.25","","Bronger, W.; Klepp, K.O.","Darstellung und Kristallstruktur von K Au S und K Au Se","Journal of the Less-Common Metals","1987","128","","65","71","10.1016/0022-5088(87)90192-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510242","3.79","","19.005","","5.244","","90","","90","","90","","377.72","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr2 Au N","","- Au N Sr2 -","- Au N Sr2 -","- Au4 N4 Sr8 -","4","0.25","","Auffermann, G.; Prots', Yu.; Kniep, R.","Ternaere Erdalkalimetall-Gold-Nitride","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2205","2205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510261","4.56","","12.3","","5.96","","90","","90","","90","","334.284","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb Au O2","","- Au O2 Rb -","- Au O2 Rb -","- Au4 O8 Rb4 -","4","0.25","","Wasel-Nielen, H.D.; Hoppe, R.","Zur Kristallstruktur von Li3 Au O3, Li5 Au O4, K Au O2 und Rb Au O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","375","","43","51","10.1002/zaac.19703750107","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510281","6.639","","8.119","","6.596","","90","","90","","90","","355.538","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb (Au S)","","- Au Rb S -","- Au Rb S -","- Au4 Rb4 S4 -","4","0.25","","Kathage, H.U.; Bronger, W.","Zur Synthese und Kristallstruktur von Alkalimetall-Gold-Chalcogeniden AAuX mit A=Na,K,Rb oder Cs und X = S, Se oder Te","Journal of Alloys Compd.","1992","184","","87","94","10.1016/0925-8388(92)90457-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510418","3.2206","","11.314","","11.2262","","90","","90","","90","","409.059","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au2 Hg P2 -","- Au2 Hg1.018 P2 -","- Au8 Hg4.072 P8 -","4","0.25","","Eschen, M.; Jeitschko, W.","Au2 Pb P2, Au2 Tl P2 and Au2 Hg P2: ternary gold polyphosphides with lead, thallium and mercury in the oxidation state zero","Journal of Solid State Chemistry","2002","165","","238","246","10.1006/jssc.2001.9497","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510454","3.2364","","11.3715","","11.2184","","90","","90","","90","","412.868","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Au2 Pb P2","","- Au2 P2 Pb -","- Au2 P2 Pb -","- Au8 P8 Pb4 -","4","0.25","","Eschen, M.; Jeitschko, W.","Au2 Pb P2, Au2 Tl P2 and Au2 Hg P2: ternary gold polyphosphides with lead, thallium and mercury in the oxidation state zero","Journal of Solid State Chemistry","2002","165","","238","246","10.1006/jssc.2001.9497","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510456","3.2407","","11.3607","","11.2215","","90","","90","","90","","413.138","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Au2 Tl P2","","- Au2 P2 Tl -","- Au2 P2 Tl0.977 -","- Au8 P8 Tl3.908 -","4","0.25","","Jeitschko, W.; Eschen, M.","Au2 Pb P2, Au2 Tl P2 and Au2 Hg P2: ternary gold polyphosphides with lead, thallium and mercury in the oxidation state zero","Journal of Solid State Chemistry","2002","165","","238","246","10.1006/jssc.2001.9497","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510506","5.75","","19.95","","9.44","","90","","90","","90","","1082.89","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Au3 Mg -","- Au3 Mg -","- Au48 Mg16 -","16","1","","Gold, W.; Schubert, K.; Panday, P.K.; Burkhardt, K.","Einige Strukturdaten metallischer Phasen (12)","Naturwissenschaften","1965","52","","301","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510592","4.212","","14.036","","10.657","","90","","90","","90","","630.038","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba (Gd Au Se3)","","- Au Ba Gd Se3 -","- Au Ba Gd Se3 -","- Au4 Ba4 Gd4 Se12 -","4","0.25","","Yang, Y.-T.; Ibers, J.A.","Synthesis and characterisation of a series of quaternary chalcogenides Ba Ln M Q3 (Ln = rare earth, M = coinage metal, Q = Se or Te)","Journal of Solid State Chemistry","1999","147","","366","371","10.1006/jssc.1999.8359","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510594","4.3915","","11.9149","","4.792","","90","","90","","90","","250.738","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ba2 Au Pt","","- Au Ba2 Pt -","- Au Ba2 Pt -","- Au2 Ba4 Pt2 -","2","0.125","","Konuma, M.; Jansen, M.; Saltykov, V.; Nuss, J.","Investigation of the quasi binary system Ba Au - Ba Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2009","635","","70","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510745","15.864","","6.433","","6.862","","90","","90","","90","","700.288","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Li2 (B2 S5)","","- B2 Li2 S5 -","- B2 Li2 S5 -","- B8 Li8 S20 -","4","0.25","","Jansen, C.; Krebs, B.; Kueper, J.","Na2 B2 S5 and Li2 B2 S5: Two novel perthioborates with planar 1,2,4-trithia-3,5-diborolane rings","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1322","1329","10.1002/zaac.19956210809","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510860","2.8321","","25.406","","2.8106","","90","","90","","90","","202.229","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cu2 Ir4 B2.96","","- B2.96 Cu2 Ir4 -","- B2.96 Cu2 Ir4 -","- B5.92 Cu4 Ir8 -","2","0.125","","Kluenter, W.; Jung, W.","Das Kupfer-Iridiumborid Cu2 Ir4 B3 mit einer vom Zn Ir4 B3 Typ abgeleiteten Schichtstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","502","505","10.1002/(SICI)1521-3749(200002)626:2<502::AID-ZAAC502>3.0.CO;2-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510897","3.04","","17.55","","2.98","","90","","90","","90","","158.989","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Co V B3","","- B3 Co V -","- B3 Co V -","- B12 Co4 V4 -","4","0.25","","Starodub, P.K.; Kuz'ma, Yu.B.","The systems V-Fe-B, V-Co-B, and V-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","337","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510898","3.173","","8.422","","10.728","","90","","90","","90","","286.684","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","W3 Co B3","","- B3 Co W3 -","- B3 Co W3 -","- B12 Co4 W12 -","4","0.25","","Nowotny, H.; Benesovsky, F.; Jedlicka, H.","Die Kristallstruktur des W3 Co B3 und der dazu isotypen Phasen Mo3 Co B3, Mo3 Ni B3 und W3 Ni B3","Monatshefte fuer Chemie (-108,1977)","1969","100","","844","850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510903","3.0264","","18.115","","2.9542","","90","","90","","90","","161.959","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Cr2 B3","","- B3 Cr2 -","- B3 Cr2 -","- B12 Cr8 -","4","0.25","","Okada, S.; Atoda, T.; Higashi, I.","Structural investigation of Cr2 B3, Cr3 B4, and Cr B by single-crystal diffractometry","Journal of Solid State Chemistry","1987","68","","61","67","10.1016/0022-4596(87)90285-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510939","3.1086","","18.5817","","3.0114","","90","","90","","90","","173.948","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(V0.825 Nb0.175)2 B3","","- B3 Nb0.35 V1.65 -","- B3 Nb0.35 V1.65 -","- B12 Nb1.4 V6.6 -","4","0.25","","Lundstroem, T.; Yu, Y.","Synthesis and structure characteristics of the new ternary boride (V1-x Nbx)2 B3","Journal of Alloys Compd.","1995","229","","243","247","10.1016/0925-8388(95)01907-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510956","3.0599","","18.429","","2.9839","","90","","90","","90","","168.265","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","V2 B3","","- B3 V2 -","- B3 V2 -","- B12 V8 -","4","0.25","","Tergenius, L.E.; Lundstroem, T.; Okada, S.; Yu, Y.","A structural investigation of V2 B3 by single-crystal diffractometry","Journal of Alloys Compd.","1995","221","","86","90","10.1016/0925-8388(94)01387-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511194","2.8085","","26.571","","10.239","","90","","90","","90","","764.082","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zn2 Ir2 B","","- B Ir2 Zn2 -","- B Ir2 Zn2 -","- B12 Ir24 Zn24 -","12","0.75","","Jung, W.; Petry, K.","Darstellung und Kristallstrukturen der Zink-Iridiumboride Zn Ir4 B3, Zn6 Ir11 B6-x, Zn Ir2 B2 und Zn2 Ir2 B","Journal of Alloys Compd.","1992","183","","363","376","10.1016/0925-8388(92)90758-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511214","3.6688","","25.092","","11.0112","","90","","90","","90","","1013.66","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La6 (B N3) O6","","- B La6 N3 O6 -","- B La6 N3 O6 -","- B4 La24 N12 O24 -","4","0.25","","Meyer, H.J.; Jing, H.","La6 (B N3) O6, ein Nitridoborat-Oxid des Lanthans","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1548","1551","10.1002/1521-3749(200207)628:7<1548::AID-ZAAC1548>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511241","3.172","","17.841","","3.114","","90","","90","","90","","176.226","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb2 B N.975","","- B N0.975 Nb2 -","- B N0.975 Nb2 -","- B4 N3.9 Nb8 -","4","0.25","","Klesnar, H.; Fischer, P.; Rogl, P.","Neutron powder diffraction of Nb2BN1-x","Journal of the American Ceramic Society","1988","71","","450","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511244","3.5851","","11.8273","","3.3254","","90","","90","","90","","141.004","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U B N","","- B N U -","- B N U -","- B4 N4 U4 -","4","0.25","","Klesnar, H.; Rogl, P.","The ternary system uranium-boron-nitrogen","AIP Conference Proceedings","1991","1991","","414","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511254","3.298","","8.724","","3.166","","90","","90","","90","","91.091","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Nb B","","- B Nb -","- B Nb -","- B4 Nb4 -","4","0.25","","Kiessling, R.; Andersson, L.","Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase 'TiB' in the titanium boron system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","160","160","10.3891/acta.chem.scand.04-0160","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511255","3.268","","13.45","","3.115","","90","","90","","90","","136.919","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb Ni B","","- B Nb Ni -","- B Nb Ni -","- B4 Nb4 Ni4 -","4","0.25","","Kuz'ma, Yu.B.","Crystalline structures of the compounds Nb Ni B and Ta Ni B","Kristallografiya","1968","13","","701","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511286","11.335","","6.544","","8.81","","90","","90","","90","","653.493","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y (B O3)","","- B O3 Y -","- B O3 Y -","- B12 O36 Y12 -","12","0.75","","Stephan, M.; Eyert, V.; Mishra, K.C.; de Boer, B.G.; Osterloh, I.; Schmidt, P.C.; Johnson, K.H.","Electronic structures and nature of host excitation in borates","Berichte der Bunsengesellschaft fuer Physikalische Chemie","1998","102","","1772","1782","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511311","2.89","","9.313","","7.258","","90","","90","","90","","195.346","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Re3 B","","- B Re3 -","- B Re3 -","- B4 Re12 -","4","0.25","","Rundqvist, S.; Bacmann, M.; Aronsson, B.","The crystal structure of Re3 B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","1001","1005","10.3891/acta.chem.scand.14-1001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511350","3.371","","5.817","","4.045","","90","","90","","90","","79.319","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Pt3 B1.94","","- B1.94 Pt3 -","- B1.94 Pt3 -","- B1.94 Pt3 -","1","0.0625","","Ellner, M.; Grin', Yu.; Fischer, P.; Rogl, P.","Roentgen- und Neutronenbeugungsuntersuchungen der Struktur von Pt3 B2","Zeitschrift fuer Metallkunde","1993","84","","788","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511384","11.8926","","9.1923","","14.0354","","90","","90","","90","","1534.35","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba (B12 H12) (H2 O)6","","- B12 Ba H12 O6 -","- B12 Ba H12 O6 -","- B48 Ba4 H48 O24 -","4","0.25","","Tiritiris, I.; Schleid, T.","Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12) und Ba (H2 O)6 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1836","1845","10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511478","2.9128","","11.859","","9.758","","90","","90","","90","","337.07","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mg Os3 B4","","- B4 Mg Os3 -","- B4 Mg Os3 -","- B16 Mg4 Os12 -","4","0.25","","Jung, W.; Schiffer, J.","Mg Os3 B4 and Sc Os3 B4, ternary borides with a new channel structure","Journal of Solid State Chemistry","2000","154","","232","237","10.1006/jssc.2000.8841","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511503","10.85","","6.489","","5.173","","90","","90","","90","","364.208","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zn (B4 O7)","","- B4 O7 Zn -","- B4 O7 Zn -","- B16 O28 Zn4 -","4","0.25","","Huppertz, H.; Heymann, G.","Multianvil high-pressure/high-temperature preparation, crystal structure, and properties of the new oxoborate beta-Zn B4 O7","Solid State Sciences","2003","5","","281","289","10.1016/S1293-2558(02)00057-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511504","2.9503","","11.797","","9.819","","90","","90","","90","","341.747","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sc Os3 B4","","- B4 Os3 Sc -","- B4 Os3 Sc -","- B16 Os12 Sc4 -","4","0.25","","Jung, W.; Schiffer, J.","Mg Os3 B4 and Sc Os3 B4, ternary borides with a new channel structure","Journal of Solid State Chemistry","2000","154","","232","237","10.1006/jssc.2000.8841","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511552","5.539","","11.401","","15.047","","90","","90","","90","","950.22","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na3 Pt9 B5","","- B5 Na3 Pt9 -","- B5 Na3 Pt9 -","- B20 Na12 Pt36 -","4","0.25","","Jung, W.; Mirgel, R.","The ternary alkali metal platinum borides Li Pt3 B, Na Pt3 B(1+x) and Na3 Pt9 B5 -new structure variants of the Ce Co3 B2 type","Journal of the Less-Common Metals","1988","144","","87","99","10.1016/0022-5088(88)90352-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511596","3.034","","18.11","","2.956","","90","","90","","90","","162.42","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(Cr3 Ni) B6","","- B6 Cr3 Ni -","- B6 Cr3 Ni -","- B12 Cr6 Ni2 -","2","0.125","","Krivutskii, V.P.; Kuz'ma, Yu.B.; Chepiga, M.V.","The system Cr-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","928","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511666","3.202","","18.432","","8.917","","90","","90","","90","","526.275","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Co4 Nb3 B7","","- B7 Co4 Nb3 -","- B7 Co4 Nb3 -","- B28 Co16 Nb12 -","4","0.25","","Kuz'ma, Yu.B.; Aksel'rud, L.V.","Crystal structure of the boride Nb3 Co4 B7","Soviet Physics, Crystallography (= Kristallografiya)","1986","31","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511667","3.4201","","15.678","","9.307","","90","","90","","90","","499.044","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er3 Cr B7","","- B7 Cr Er3 -","- B7 Cr Er3 -","- B28 Cr4 Er12 -","4","0.25","","Kuz'ma, Yu.B.; Chaban, N.F.; Bruskov, V.A.; Aksel'rud, L.G.","Crystal structure of the new boride Er3 Cr B7.","Kristallografiya","1985","30","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511668","3.422","","15.714","","9.303","","90","","90","","90","","500.253","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cr Ho3 B7","","- B7 Cr Ho3 -","- B7 Cr Ho3 -","- B28 Cr4 Ho12 -","4","0.25","","Gubich, I.B.; Chaban, N.F.","Isothermal section at 1070 K of the phase-equilibrium diagrams for (Tb, Dy, Ho) - Cr - B systems.","Poroshkovaya Metallurgiya","1993","365","","417","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511671","3.434","","15.745","","9.329","","90","","90","","90","","504.403","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dy3 Mn B7","","- B7 Dy3 Mn -","- B7 Dy3 Mn -","- B28 Dy12 Mn4 -","4","0.25","","Chaban, N.F.; Mikhalenko, S.I.; Kuz'ma, Yu.B.","Interaction in Ln-Mn-B (Ln-Dy,Ho,Er) systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2298","2302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511672","3.423","","15.859","","9.396","","90","","90","","90","","510.065","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y3 Fe B7","","- B7 Fe Y3 -","- B7 Fe Y3 -","- B28 Fe4 Y12 -","4","0.25","","Aksel'rud, L.G.; Mykhalenko, S.I.; Kuz'ma, Yu.B.","Redetermination of the structure of the compound Y3ReB7 and Related Compounds","Journal of the Less-Common Metals","1986","117","","29","35","10.1016/0022-5088(86)90007-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511685","3.537","","15.859","","9.396","","90","","90","","90","","527.052","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y3 Re B7","","- B7 Re Y3 -","- B7 Re Y3 -","- B28 Re4 Y12 -","4","0.25","","Aksel'rud, L.G.; Kuz'ma, Yu.B.; Mykhalenko, S.I.","Redetermination of the structure of the compound Y3ReB7 and Related Compounds","Journal of the Less-Common Metals","1986","117","","29","35","10.1016/0022-5088(86)90007-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511686","3.525","","15.8","","9.366","","90","","90","","90","","521.639","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y3 Re B7","","- B7 Re Y3 -","- B7 Re Y3 -","- B28 Re4 Y12 -","4","0.25","","Kuz'ma, Yu.B.; Mikhalenko, S.I.","Crystal structure of the compounds Y3 Re B7 and its analogues","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1976","1976","","1029","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511687","3.467","","15.952","","9.475","","90","","90","","90","","524.02","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y3 W B7","","- B7 W Y3 -","- B7 W Y3 -","- B28 W4 Y12 -","4","0.25","","Kuz'ma, Yu.B.; Mikhalenko, S.I.; Chaban, N.F.","New borides with structure of Er3CrB7 type and refinement of the diagram of state of Y-W-B system.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","2092","2095","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512948","12.7761","0.0014","16.6367","0.0014","18.8337","0.0018","90","","90","","90","","4003.1","0.7","120","2","120","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C24.5 H54 Ba O14 Pd -","- C24.5 H40.5 Ba O14 Pd -","- C98 H162 Ba4 O56 Pd4 -","4","0.25","","Sergei E. Nefedov; Elena V. Kushan; Marina A. Uvarova; Natalia Yu. Kozitsyna; Michael N. Vargaftik; Ilya I. Moiseev","Unexpected retention of the Pd-Ba heterobimetallic structure upon Pd(mu-OOCMe)4Ba(HOOCMe)4 to 18-crown-6 attachment","Inorganica Chimica Acta","2013","395","","104","108","10.1016/j.ica.2012.10.008","","","0.71073","MoKα","","0.1177","0.0637","","","0.1637","0.2038","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513972","5.51402","0.00008","8.39754","0.00015","6.35911","0.0001","90","","90","","90","","294.454","0.008","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Lithium Manganate(VII)","","- Li Mn O4 -","- Li Mn O4 -","- Li4 Mn4 O16 -","4","0.25","","Fischer, D.; Hoppe, R.; Schaefer, W.; Knight, K. S.","Koordinationszahl 4 oder 6 fuer Lithium?: Die Kristallstruktur von wasserfreiem Lithiumpermanganat, Li (Mn O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1419","1425","10.1002/zaac.19936190817","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1514003","5.51402","0.00008","8.39754","0.00015","6.35911","0.0001","90","","90","","90","","294.454","0.008","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Lithium Manganate(VII)","","- Li Mn O4 -","- Li Mn O4 -","- Li4 Mn4 O16 -","4","0.25","","Hoppe, R.; Fischer, D.; Schneider, J.","Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich ""Die Kristallstruktur von...""?-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1135","1142","10.1002/(SICI)1521-3749(199907)625:7<1135::AID-ZAAC1135>3.0.CO;2-L","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1516510","7.431","0.007","12.815","0.011","14.298","0.013","90","","90","","90","","1362","2","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","","- C6 H9 Co N6 O4.5 Pr -","- C6 Co N6 O4.5 Pr -","- C24 Co4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0787","0.0733","","","0.1836","0.1885","","","","","","1.123","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516511","7.523","0.008","13.117","0.014","14.476","0.015","90","","90","","90","","1428","3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","","- C6 H9 Fe N6 O4.5 Pr -","- C6 Fe N6 O4.5 Pr -","- C24 Fe4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0812","0.0733","","","0.1803","0.1869","","","","","","1.096","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516512","7.375","0.004","12.742","0.006","13.653","0.007","90","","90","","90","","1283","1.1","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","samarium(III) hexacyanidocobaltate(III) tetrahydrate","samarium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co N6 O4 Sm -","- C6 Co N6 O4 Sm -","- C24 Co4 N24 O16 Sm4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.035","0.0348","","","0.0858","0.0859","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516513","7.3394","0.0012","12.75","0.002","13.617","0.002","90","","90","","90","","1274.2","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","europium(III) hexacyanidocobaltate(III) tetrahydrate","europium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co Eu N6 O4 -","- C6 Co Eu N6 O4 -","- C24 Co4 Eu4 N24 O16 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.037","0.0368","","","0.1009","0.101","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516514","7.242","0.003","12.578","0.005","13.361","0.005","90","","90","","90","","1217.1","0.8","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Lu N6 Na O3 -","- C6 Fe Lu N6 Na O3 -","- C24 Fe4 Lu4 N24 Na4 O12 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0549","0.0542","","","0.1306","0.1317","","","","","","1.31","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516516","7.2309","0.0007","12.5358","0.0012","13.2519","0.0013","90","","90","","90","","1201.2","0.2","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Li Lu N6 O3 -","- C6 Fe Li Lu N6 O2.58 -","- C24 Fe4 Li4 Lu4 N24 O10.32 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0538","0.0529","","","0.1421","0.1427","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516666","7.6549","0.0007","11.1028","0.0011","10.9893","0.0011","90","","90","","90","","933.99","0.16","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","3c","iodo(pentacarbonyl)rhenium(I)","","- C5 I O5 Re -","- C5 I O5 Re -","- C20 I4 O20 Re4 -","4","0.25","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0389","0.039","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517110","22.3206","","38.6604","","6.8195","","90","","90","","90","","5884.71","","","","","","","","","","","","see text","4","C m c m","-C 2c 2","63","","","","- C24 H12 B3 O3 -","- C24 H12 B3 O3 -","- C192 H96 B24 O24 -","8","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517114","22.4102","","38.8156","","6.8263","","90","","90","","90","","5937.96","","","","","","","","","","","","see text","4","C m c m","-C 2c 2","63","","","","- C18 H12 B3 O3 -","- C18 H12 B3 O3 -","- C144 H96 B24 O24 -","8","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517117","17.4764","","30.27","","6.8195","","90","","90","","90","","3607.59","","","","","","","","","","","","see text","4","C m c m","-C 2c 2","63","","","","- C21 H6 B3 O6 -","- C21 H7 B3 O6 -","- C168 H56 B24 O48 -","8","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517628","15.1343","0.0004","16.3411","0.0004","11.15","0.0003","90","","90","","90","","2757.52","0.12","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C24 H16 Au2 Cl2 Cu N8 -","- C24 H16 Au2 Cl2 Cu N8 -","- C96 H64 Au8 Cl8 Cu4 N32 -","4","0.25","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0459","0.0291","","0.0427","0.0376","0.037","","","","","","1.1793","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518051","13.86","0.004","30.519","0.007","13.729","0.003","90","","90","","90","","5807","2","","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga3.42 Li -","- Ga3.41813 Li -","- Ga218.76 Li64 -","64","4","","Belin, Claude","Synthesis and crystal structure of thr nonstoichiometric phase LiGa3.42","Revue de Chimie Minerale","1984","21","","263","272","","","x-ray","0.71069","MoKα","","","0.066","","","0.094","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518117","4.191","0.003","17.68","0.01","4.073","0.003","90","","90","","90","","301.8","0.4","","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Mn Si2 -","- La Mn Si2 -","- La4 Mn4 Si8 -","4","0.25","","Venturini, G.; Malaman, B.; Meot-Meyer, M.; Fruchart, D.; Le Caer, G.; Malterre, D.; Roques, B.","Structures et magnetisme des nouveaux siliciures ternaires RMnSi2 (R = La-Sm) et RFeSi2 (R = La-Nd)","Revue de Chimie Minerale","1986","23","","162","182","","","x-ray","1.542","CuKα","","","","","","","","","0.04","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518448","14.166","0.007","13.519","0.007","25.901","0.013","90","","90","","90","","4960","4","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","bis(m6-h1:h5:h6:h6:h6:h6-Corannulene)- -(tetrahydrofuran-O,O)-bis(tetrahydrofuran-O,O,O)- -tetra-lithium-tetra-rubidium","","- C60 H60 Li4 O5 Rb4 -","- C60 H60 Li4 O5 Rb4 -","- C240 H240 Li16 O20 Rb16 -","4","0.25","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1516","0.0846","","","0.1934","0.2331","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1520196","6.8156","0.0006","12.7537","0.0012","14.1899","0.0011","90","","90","","90","","1233.44","0.19","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","Pimelic acid & 2-imidazolidinone","","- C5 H9 N O2.5 -","- C5 H9 N O2.5 -","- C40 H72 N8 O20 -","8","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","pimelic acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","499","","","","","0.71073","MoKα","","0.0896","0.0591","","","0.1118","0.1285","","","","","","1.17","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520772","3.89","","14.18","","3.718","","90","","90","","90","","205.086","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H0.28 Mo O3 -","- H0.28 Mo O3 -","- H1.12 Mo4 O12 -","4","0.25","","Adams, S.","CDW superstructures in hydrogen molybdenum bronzes Hx Mo O3","Journal of Solid State Chemistry","2000","149","","75","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521061","3.8802","","29.508","","7.714","","90","","90","","90","","883.229","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Ca2 (Nb3 O10)","","- Ca2 K Nb3 O10 -","- Ca2 K Nb3 O10 -","- Ca8 K4 Nb12 O40 -","4","0.25","","Fukuoka, H.; Isami, T.; Yamanaka, S.","Crystal structure of a layered perovskite niobate K Ca2 Nb3 O10","Journal of Solid State Chemistry","2000","151","","40","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521094","20.688","","5.736","","5.71","","90","","90","","90","","677.585","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr3 Sn2 O7","","- O7 Sn2 Sr3 -","- O7 Sn2 Sr3 -","- O28 Sn8 Sr12 -","4","0.25","","Green, M.A.; Day, P.; Prassides, K.; Neumann, D.A.","Structure of the n=2 and n=infinity member of the Ruddlesden-Popper series, Srn+1 Snn O3n+1","International Journal of Inorganic Materials","2000","2","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","140735","2020-10-21","18:00:00",""
"1521185","4.1834","","14.308","","14.439","","90","","90","","90","","864.262","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Sm2 Cu Se4","","- Cu Rb Se4 Sm2 -","- Cu Rb Se4 Sm2 -","- Cu4 Rb4 Se16 Sm8 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5","Journal of Solid State Chemistry","2000","151","","317","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521186","4.1568","","14.227","","14.409","","90","","90","","90","","852.131","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Gd2 Cu Se4","","- Cu Gd2 Rb Se4 -","- Cu Gd2 Rb Se4 -","- Cu4 Gd8 Rb4 Se16 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5","Journal of Solid State Chemistry","2000","151","","317","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521188","4.1237","","14.083","","14.291","","90","","90","","90","","829.936","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Dy2 Cu Se4","","- Cu Dy2 Rb Se4 -","- Cu Dy2 Rb Se4 -","- Cu4 Dy8 Rb4 Se16 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5","Journal of Solid State Chemistry","2000","151","","317","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521388","8.27","","8.2732","","8.2586","","90","","90","","90","","565.048","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr (Zr O3)","","- O3 Sr Zr -","- O3 Sr Zr -","- O24 Sr8 Zr8 -","8","0.5","","Kennedy, B.J.; Howard, C.J.; Chakoumakos, B.C.","High-temperature phase transitions in Sr Zr O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1999","59","","4023","4027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521391","8.1741","","8.1974","","8.1797","","90","","90","","90","","548.092","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr (Hf O3)","","- Hf O3 Sr -","- Hf O3 Sr -","- Hf8 O24 Sr8 -","8","0.5","","Kennedy, B.J.; Howard, C.J.; Chakoumakos, B.C.","High-temperature phase transitions in Sr Hf O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1999","60","","2972","2975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521835","3.5959","","10.9734","","9.5961","","90","","90","","90","","378.655","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr3 Co D6.88","","- Co D6.88 Zr3 -","- Co D6.88 Zr3 -","- Co4 D27.52 Zr12 -","4","0.25","","Riabov, A.B.; Yartys', V.A.; Fjellvag, H.; Sorby, M.H.; Hauback, B.C.","Neutron diffraction studies of Zr-containing intermetallic hydrides with ordered hydrogen sublattice. V. Orthorhombic Zr3 Co D6.9 with filled (Re3 B)-type structure","Journal of Alloys Compd.","2000","296","","312","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522185","10.974","","7.3908","","7.5239","","90","","90","","90","","610.238","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr3 (Ru O7)","","- O7 Pr3 Ru -","- O7 Pr3 Ru -","- O28 Pr12 Ru4 -","4","0.25","","Wiss, F.; Raju, N.P.; Wills, A.S.; Greedan, J.E.","Structure and magnetism in Pr3 Ru O7","International Journal of Inorganic Materials","2000","2","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522188","14.33","","4.64","","4.61","","90","","90","","90","","306.524","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pd3 Ti2 -","- Pd3 Ti2 -","- Pd12 Ti8 -","4","0.25","","Krautwasser, P.; Schubert, K.; Bhan, S.","Strukturuntersuchungen in den Systemen Ti-Pd und Ti-Pt","Zeitschrift fuer Metallkunde","1968","59","","724","729","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522271","4.401","","14.706","","11.287","","90","","90","","90","","730.507","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba (Y Cu Te3)","","- Ba Cu Te3 Y -","- Ba Cu Te3 Y -","- Ba4 Cu4 Te12 Y4 -","4","0.25","","Yang, Y.-T.; Ibers, J.A.","Synthesis and characterisation of a series of quaternary chalcogenides Ba Ln M Q3 (Ln = rare earth, M = coinage metal, Q = Se or Te)","Journal of Solid State Chemistry","1999","147","","366","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522357","3.703","","10.792","","4.391","","90","","90","","90","","175.477","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pt U -","- Pt U -","- Pt4 U4 -","4","0.25","","Lawson, A.C.jr.; Williams, A.; Huber, J.G.; Roof, R.B.jr.","Magnetic structure of U Pt","Journal of the Less-Common Metals","1986","120","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522410","9.4","","7.6","","9.42","","90","","90","","90","","672.965","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga U -","- Ga U -","- Ga16 U16 -","16","1","","Makarov, E.S.; Levdik, V.A.","Crystal structure of U Ga and U Ga2","Kristallografiya","1956","1","","644","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522446","4.037","","9.552","","6.467","","90","","90","","90","","249.377","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga2 Ni Sc -","- Ga2 Ni Sc -","- Ga8 Ni4 Sc4 -","4","0.25","","Markiv, V.Ya.; Belyavina, N.N.","Compounds crystallizing in the structure types Yb Cd6 and Mg Cu Al2","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1983","1983","","32","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522514","5.018","","12.23","","4.648","","90","","90","","90","","285.248","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pb Sr -","- Pb Sr -","- Pb4 Sr4 -","4","0.25","","Merlo, F.; Fornasini, M.L.","Cr B-type equiatomic compounds of europium, ytterbium and alkaline-earth metals with Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1967","13","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522545","4.142","","15.855","","6.642","","90","","90","","90","","436.19","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al4 Ce Ni -","- Al4 Ce Ni -","- Al16 Ce4 Ni4 -","4","0.25","","Mizushima, A.; Isikawa, Y.; Kamigaki, K.; Sato, K.; Maeda, A.; Oyabe, K.; Mori, K.","A new dense-Kondo compound Ce Ni Al4","Journal of the Physical Society of Japan","1991","60","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522550","3.1","","4.88","","4.7","","90","","90","","90","","71.102","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","(Nb0.3 Ti0.7)","","- Nb0.3 Ti0.7 -","- Nb0.3 Ti0.7 -","- Nb1.2 Ti2.8 -","4","0.25","","Morniroli, J.P.; Gantois, M.","Etude des conditions de formation de la phase omega dans les alliages Ti-Nb et Ti-Mo","Memoires Scientifiques de la Revue de Metallurgie","1973","70","","831","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","142800","2020-10-21","18:00:00",""
"1522558","6.0893","","9.5694","","4.6666","","90","","90","","90","","271.927","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al Nb Ti2 -","- Al Nb Ti2 -","- Al4 Nb4 Ti8 -","4","0.25","","Mozer, B.; Bendersky, L. A.; Grant, R. R.; Boettinger, B. J.","Neutron powder diffraction study of the orthorhombic Ti~2~AlNb phase","Scripta Metallurgica et Materialia","1990","24","12","2363","2368","10.1016/0956-716X(90)90094-W","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522695","3.736","","10.55","","4.548","","90","","90","","90","","179.259","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Gd Pd -","- Gd Pd -","- Gd4 Pd4 -","4","0.25","","Pierre, J.; Siaud, E.","Structure cristalline et proprietes magnetique du compose Gd Pb","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B","1968","266","","1483","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522779","4.435","","11.23","","4.182","","90","","90","","90","","208.285","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","","Rieger, W.; Parthe, E.","Kristallchemische Untersuchungen an Monogalliden von Seltenen Erdmetallen","Monatshefte fuer Chemie (-108,1977)","1967","98","","1935","1940","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522924","3.839","","14.914","","5.534","","90","","90","","90","","316.848","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Bi (Re O4)","","- Bi O4 Re -","- Bi O4 Re -","- Bi4 O16 Re4 -","4","0.25","","Smith, A.R.P.; Cheetham, A.K.","The preparation and crystal structures of Bi Re O4 and Bi Re2 O6","Journal of Solid State Chemistry","1979","30","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523100","4.053","","15.16","","6.545","","90","","90","","90","","402.148","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga4 Ho Ni -","- Ga4 Ho Ni -","- Ga16 Ho4 Ni4 -","4","0.25","","Yarmolyuk, Ya.P.; Grin', Yu.","Intermetallic compounds R Ga2 Ni and R Ga4 Ni in (Y, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) - Ga - Ni systems","Izvestiya Akademii Nauk SSSR, Metally","1981","1981","","228","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523101","4.131","","10.05","","6.62","","90","","90","","90","","274.84","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga2 Ni Y -","- Ga2 Ni Y -","- Ga8 Ni4 Y4 -","4","0.25","","Yarmolyuk, Ya.P.; Grin', Yu.","Intermetallic compounds R Ga2 Ni and R Ga4 Ni in (Y, Sm, Gd, Tb, Ho, Er, Tm, Yb, Lu) - Ga - Ni systems","Izvestiya Akademii Nauk SSSR, Metally","1981","1981","","228","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523164","3.764","","10.329","","4.242","","90","","90","","90","","164.922","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Gd Ni -","- Gd Ni -","- Gd4 Ni4 -","4","0.25","","Abrahams, S.C.; Sherwood, R.C.; Bernstein, J.L.; Wernick, J.H.; Williams, H.J.","The crystal structure and magnetic properties of the rare-earth nickel (R Ni) compounds","Journal of Physics and Chemistry of Solids","1964","25","","1069","1080","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523231","25.794","","18.911","","13.497","","90","","90","","90","","6583.71","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga57.64 K6 Li17 -","- Ga57.66 K6 Li17 -","- Ga230.64 K24 Li68 -","4","0.25","","Belin, C.","Intermetallic phases of gallium and alkali metals: Synthesis and structure of the nonstoichiometric phase K3 Li9 Ga28.83","Journal of Solid State Chemistry","1983","50","","225","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523304","3.166","","4.854","","4.652","","90","","90","","90","","71.491","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","(Nb0.2 Ti0.8)","","- Nb0.2 Ti0.8 -","- Nb0.2 Ti0.8 -","- Nb0.8 Ti3.2 -","4","0.25","","Brown, A.R.G.; Clark, D.; Eastabrook, J.; Jepson, K.S.","The titanium-niobium system","Nature (London)","1964","201","","914","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","143919","2020-10-21","18:00:00",""
"1523362","4.33","","10.9","","4.09","","90","","90","","90","","193.036","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Tb -","- Ga Tb -","- Ga4 Tb4 -","4","0.25","","Cable, J.W.; Koehler, W.C.; Wollan, E.O.","Magnetic order in rare-earth intermetallic compounds","Physical Review, Section A (133,1964-188,1969)","1964","136","","240","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523371","4.55","","16.46","","4.45","","90","","90","","90","","333.274","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pb2 Y -","- Pb2 Y -","- Pb8 Y4 -","4","0.25","","Carlson, O.N.; Schmidt, F.A.; Diesburg, D.E.","The yttrium-lead alloy system","Transactions of the American Society for Metals","1967","60","","119","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523379","3.846","","10.769","","4.542","","90","","90","","90","","188.119","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd Pt -","- Nd Pt -","- Nd4 Pt4 -","4","0.25","","Castets, A.; Gignoux, D.; Gomez-Sal, J.C.; Roudaut, E.","Magnetic properties and structures of Pr Pt and Nd Pt","Solid State Communications","1982","44","","1329","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523447","9.396","","7.575","","9.387","","90","","90","","90","","668.117","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga5 U3 -","- Ga5 U3 -","- Ga20 U12 -","4","0.25","","Dayan, D.; Kimmel, G.; Dariel, M.P.","Shear-like transformation in beta-stabilized U-1.5at.% Ga alloy; Structure of the intermetallic compound U3Ga5","Journal of Nuclear Materials","1985","135","","40","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523464","4.526","","17.79","","4.51","","90","","90","","90","","363.134","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Ni0.74 Sn2 -","- La Ni0.74 Sn2 -","- La4 Ni2.96 Sn8 -","4","0.25","","Doerrscheidt, W.; Savelsberg, G.; Stoehr, J.; Schaefer, H.","Beitraege zu den Stabilitaetskriterien der Ba Cu Sn2- Struktur: Die Verbindungen: La Cu.56 Sn2, La Ni.74 Sn2, La Co.52 Sn2, La Fe.34 Sn2 und Ba Cu Sn2","Journal of the Less-Common Metals","1982","83","","269","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523693","8.403","","4.785","","4.744","","90","","90","","90","","190.748","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pt2 Ta -","- Pt2 Ta -","- Pt8 Ta4 -","4","0.25","","Giessen, B.C.; Kane, R.H.; Grant, N.J.","On the constitution diagram Ta-Pt between 50-100 at.% Pt","Transactions of the Metallurgical Society of Aime","1965","233","","855","864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523710","12.74","","7.4635","","9.321","","90","","90","","90","","886.287","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Co3 Y2 -","- Al9 Co3 Y2 -","- Al36 Co12 Y8 -","4","0.25","","Gladyshevskii, R.E.; Cenzual, K.; Parthe, E.","Y2 Co3 Al9 with Y2 Co3 Ga9 type structure: an intergrowth of Cs Cl- and Th3 Pd5-type slabs","Journal of Alloys Compd.","1992","182","","165","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523711","4.0893","","15.993","","27.092","","90","","90","","90","","1771.82","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al19 Gd3 Ni5 -","- Al19 Gd3 Ni5 -","- Al76 Gd12 Ni20 -","4","0.25","","Gladyshevskii, R.E.; Cenzual, K.; Parthe, E.","The crystal structure of orthorhombic Gd3 Ni5 Al19, a new representative of the structure series R2+m T4+m Al15+4m","Journal of Solid State Chemistry","1992","100","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523730","4.354","","9.979","","6.574","","90","","90","","90","","285.631","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga2 Pd Tm -","- Ga2 Pd Tm -","- Ga8 Pd4 Tm4 -","4","0.25","","Grin', Yu.","Crystallographic structure of R Ga2 Pd (R= Y, Tb, Dy, Ho, Er, Tm, Yb, Lu)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1984","1984","","34","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523849","4.452","","11.331","","4.195","","90","","90","","90","","211.619","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Pr -","- Ga Pr -","- Ga4 Pr4 -","4","0.25","","Iandelli, A.","Intermetallic compounds of the rare earth metals","Physical Chemistry of Metallic Solutions and Intermetallic Compounds, Symposium","1960","1","","376","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524111","7.14","","10.517","","4.771","","90","","90","","90","","358.261","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cd3 Lu -","- Cd3 Lu -","- Cd12 Lu4 -","4","0.25","","Bruzzone, G.; Fornasini, M.L.; Merlo, F.","Rare-earth intermediate phases with cadmium","Journal of the Less-Common Metals","1973","30","","361","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524114","6.963","","10.97","","4.851","","90","","90","","90","","370.539","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cd3 Tb -","- Cd3 Tb -","- Cd12 Tb4 -","4","0.25","","Bruzzone, G.; Fornasini, M.L.; Merlo, F.","Rare-earth intermediate phases with cadmium","Journal of the Less-Common Metals","1973","30","","361","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524116","7.103","","10.617","","4.795","","90","","90","","90","","361.603","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cd3 Tm -","- Cd3 Tm -","- Cd12 Tm4 -","4","0.25","","Bruzzone, G.; Merlo, F.; Fornasini, M.L.","Rare-earth intermediate phases with cadmium","Journal of the Less-Common Metals","1973","30","","361","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524117","7.044","","10.864","","4.837","","90","","90","","90","","370.156","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cd3 Y -","- Cd3 Y -","- Cd12 Y4 -","4","0.25","","Bruzzone, G.; Merlo, F.; Fornasini, M.L.","Rare-earth intermediate phases with cadmium","Journal of the Less-Common Metals","1973","30","","361","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524256","3.895","","14.07","","3.737","","90","","90","","90","","204.798","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- D0.36 Mo O3 -","- D0.36 Mo O3 -","- D1.44 Mo4 O12 -","4","0.25","","Dickens, P.G.; Birtill, J.J.; Wright, C.J.","Elastic and inelastic neutron studies of hydrogen molybdenum bronzes","Journal of Solid State Chemistry","1979","28","","185","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524264","4.53","","18.34","","4.46","","90","","90","","90","","370.538","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cu1.12 La2 Sn4 -","- Cu1.12 La2 Sn4 -","- Cu2.24 La4 Sn8 -","2","0.125","","Doerrscheidt, W.; Savelsberg, G.; Stoehr, J.; Schaefer, H.","Beitraege zu den Stabilitaetskriterien der Ba Cu Sn2- Struktur: Die Verbindungen La Cu.56 Sn2, La Ni.74 Sn2, La Co.52 Sn2, La Fe.34 Sn2 und Ba Cu2 Sn2","Journal of the Less-Common Metals","1982","83","","269","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524266","4.61","","17.23","","4.49","","90","","90","","90","","356.642","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Fe0.34 La Sn2 -","- Fe0.34 La Sn2 -","- Fe1.36 La4 Sn8 -","4","0.25","","Doerrscheidt, W.; Savelsberg, G.; Stoehr, J.; Schaefer, H.","Beitraege zu den Stabilitaetskriterien der Ba Cu Sn2- Struktur: Die Verbindungen La Cu.56 Sn2, La Ni.74 Sn2, La Co.53 Sn2, La Fe.34 Sn2 und Ba Cu Sn2","Journal of the Less-Common Metals","1982","83","","269","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524571","4.365","","16.132","","4.285","","90","","90","","90","","301.733","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Sn2 -","- Er Sn2 -","- Er4 Sn8 -","4","0.25","","Iandelli, A.; Palenzona, A.","Sulla struttura dei composti intermetallici delle terre rare di formula M Sn2","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1966","40","","623","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524597","6.618","","11.944","","5.724","","90","","90","","90","","452.456","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(N H4) Al (C O3) (O H)2","","- C H6 Al N O5 -","- C Al N O5 -","- C4 Al4 N4 O20 -","4","0.25","","Iga, T.; Kato, S.","Crystal structure of NH~4~-dawsonite","Journal of the Ceramic Association, Japan","1978","86","999","509","512","10.2109/jcersj1950.86.999_509","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524656","2.585","","4.527","","4.351","","90","","90","","90","","50.917","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Ti -","- Cu3 Ti -","- Cu3 Ti -","1","0.0625","","Karlsson, N.","An X-ray study of the phases in the copper-titanium system","Journal of the Institute of Metals","1951","79","","391","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524734","4.47","","17.41","","4.398","","90","","90","","90","","342.264","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cu0.52 Nd Sn1.68 -","- Cu0.525 Nd Sn1.675 -","- Cu2.1 Nd4 Sn6.7 -","4","0.25","","Komarovskaya, L.P.; Sadykov, S.A.; Skolozdra, R.V.","Magnetic and electrical properties of new stannides R Cu1-x Sn2-y (R= La, Ce, Pr, Nd) with the defective structure","Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)","1988","33","","1249","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524752","3.27","","10.84","","8.95","","90","","90","","90","","317.249","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co Zr3 -","- Co Zr3 -","- Co4 Zr12 -","4","0.25","","Kripyakevich, P.I.; Burnashova, V.V.; Markiv, V.Ya.","The crystal structure of the compound Zr3 Co","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1970","1970","","551","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524799","10.713","","12.817","","5.909","","90","","90","","90","","811.356","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pb3 Zr F10","","- F10 Pb3 Zr -","- F10 Pb3 Zr -","- F40 Pb12 Zr4 -","4","0.25","","Laval, J.P.; Frit, B.","Une nouvelle structure ordonnee derivee de la fluorine: Pb3 Zr F10","Materials Research Bulletin","1979","14","","1517","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524953","16.016","","13.758","","6.72","","90","","90","","90","","1480.74","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Mg3.916 Al5.4 (Al0.5 B0.558 Si3.942 O21 (O H))","","- Al5.9 B0.558 H Mg3.916 O22 Si3.942 -","- Al5.9 B0.558 Mg3.916 O22 Si3.942 -","- Al23.6 B2.232 Mg15.664 O88 Si15.768 -","4","0.25","","Moore, P.B.; Araki, T.","Kornerupine: a detailed crystal-chemical study","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1979","134","","317","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525040","8.164","","20.737","","7.724","","90","","90","","90","","1307.65","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","(N H3)5 C N Co (Cl O4)2 (H2 O)0.5","","- C H16 Cl2 Co N6 O8.5 -","- C Cl2 Co N6 O8.5 -","- C4 Cl8 Co4 N24 O34 -","4","0.25","","Ozbirn, W.; Jacobson, R.A.","The crystal and molecular structure of the perchlorate and chloride of (N H3)5 (C N Co2)(+)","Inorganica Chimica Acta","1970","4","","377","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525059","4.445","","18.068","","4.524","","90","","90","","90","","363.333","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Li Sn2 -","- Ce Li Sn2 -","- Ce4 Li4 Sn8 -","4","0.25","","Pavlyuk, V.V.; Bodak, O.I.; Pecharskii, V.K.; Gladyshevskii, E.I.; Skolozdra, R.V.","New ternary stannides of rare-earth metals and lithium","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","1145","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525072","6.443","","6.288","","8.312","","90","","90","","90","","336.749","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Xe F2 O2","","- F2 O2 Xe -","- F2 O2 Xe -","- F8 O8 Xe4 -","4","0.25","","Peterson, S.W.; Willett, R.D.; Huston, J.L.","Symmetrie and structure of Xe O2 F2 by neutron diffraction","Journal of Chemical Physics","1973","59","","453","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525167","10.905","","7.517","","7.624","","90","","90","","90","","624.961","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd3 Nb O7","","- Nb Nd3 O7 -","- Nb Nd3 O7 -","- Nb4 Nd12 O28 -","4","0.25","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525168","11.167","","7.629","","7.753","","90","","90","","90","","660.502","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La3 Nb O7 -","- La3 Nb O7 -","- La12 Nb4 O28 -","4","0.25","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525213","18.127","","20.408","","7.463","","90","","90","","90","","2760.83","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb8.01 Al8.02 Si39.98 O96","","- Al8.016 O96 Rb7.48 Si39.984 -","- Al8.016 O96 Rb7.48 Si39.984 -","- Al8.016 O96 Rb7.48 Si39.984 -","1","0.0625","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with mordenite-type framework. V. Dehydrated Rb-mordenite","Materials Research Bulletin","1978","13","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","146133","2020-10-21","18:00:00",""
"1525214","18.193","","20.47","","7.506","","90","","90","","90","","2795.31","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs5.5 (Al8 Si40 O96)","","- Al8 Cs5.5 O96 Si40 -","- Al8.0016 Cs5.504 O96 Si39.9984 -","- Al8.0016 Cs5.504 O96 Si39.9984 -","1","0.0625","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Position of cations and molecules in zeolites with the mordenite -type framework. VII. Dehydrated Rb-mordenite","Materials Research Bulletin","1978","13","","901","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","146134","2020-10-21","18:00:00",""
"1525216","18.178","","20.394","","7.488","","90","","90","","90","","2775.97","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Na0.6 H7.9 (Al8.5 Si39.5 O96)","","- Al8.5 H7.9 Na0.6 O96 Si39.5 -","- Al8.5008 Na0.6 O96 Si39.4992 -","- Al8.5008 Na0.6 O96 Si39.4992 -","1","0.0625","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the mordenite framework. IX. Dehydrated H-mordenite via acid exchange","Materials Research Bulletin","1979","14","","849","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525223","4.0891","","16.1422","","3.9807","","90","","90","","90","","262.754","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ge2 Ni Tb","","- Ge2 Ni0.4 Tb -","- Ge2 Ni0.4 Tb -","- Ge8 Ni1.6 Tb4 -","4","0.25","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","Magnetic ordering of Tb Ni0.4 Ge2 and Tb Cu0.4 Ge2 studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1992","187","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525224","4.0901","","16.4881","","3.9624","","90","","90","","90","","267.216","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cu Ge2 Tb","","- Cu0.4 Ge2 Tb -","- Cu0.4 Ge2 Tb -","- Cu1.6 Ge8 Tb4 -","4","0.25","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","Magnetic ordering of Tb Ni0.4 Ge2 and Tb Cu0.4 Ge2 studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1992","187","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525273","10.126","","7.691","","5.191","","90","","90","","90","","404.27","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co2 Eu Ga3 -","- Co2 Eu Ga3 -","- Co8 Eu4 Ga12 -","4","0.25","","Sichevich, O.M.; Grin', Yu.; Vasilechko, L.O.; Kim Sun-Gie; Yarmolyuk, Ya.P.","Phases with type Ba Zn5 structure in the ternary systems (Ca, La, Eu) - (Co, Ni) - Ga","Izvestiya Akademii Nauk SSSR, Metally","1986","1986","","204","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525481","4.123","","10.289","","20.539","","90","","90","","90","","871.296","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co5 Ga Y5 -","- Co5 Ga Y5 -","- Co20 Ga4 Y20 -","4","0.25","","Yarmolyuk, Ya.P.; Gladyshevskii, R.E.; Grin', Yu.; Bruskov, V.A.","Crystal structure of yttrium-gallium-cobalt (Y5 Ga Co5)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1984","1984","","50","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525482","4.098","","10.11","","13.01","","90","","90","","90","","539.014","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y3 Co3 Ga","","- Co3 Ga Y3 -","- Co3 Ga Y3 -","- Co12 Ga4 Y12 -","4","0.25","","Yarmolyuk, Ya.P.; Grin', Yu.; Gladyshevskii, E.I.","Crystal structure of M Co3 Ga compounds (M= praseodymium, neodymium, samarium, terbium, and yttrium)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1978","40","","855","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525697","10.643","","7.345","","7.38","","90","","90","","90","","576.916","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 Ru O7","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd12 O28 Ru4 -","4","0.25","","Bontchev, R.P.; Jacobson, A.J.; Popov, V.N.; Gospodinov, M.M.; Skumryev, V.; Lorenz, B.; Iliev, M.N.; Litvinchuk, A.P.; Meng, R.L.","Crystal structure, electric and magnetic properties, and Raman spectroscopy of Gd3 Ru O7","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","12235","12240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525703","4.3589","","24.5774","","3.9161","","90","","90","","90","","419.533","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd Si1.41 -","- Nd Si1.41 -","- Nd8 Si11.28 -","8","0.5","","Boulet, P.; Weitzer, F.; Hiebl, K.; Noel, H.","Structural chemistry, magnetism and electrical properties of binaryNd silicides","Journal of Alloys Compd.","2001","315","","75","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525853","4.052","","16.917","","4.058","","90","","90","","90","","278.167","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U Cu Ge1.77","","- Cu Ge1.77 U -","- Cu Ge1.77 U -","- Cu4 Ge7.08 U4 -","4","0.25","","Darriet, B.; Chevalier, B.; Darriet, J.; Pechev, S.","Structural study of U Cu Ge1.75 by X-ray and electron diffraction","Journal of Alloys Compd.","2001","317","","331","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525982","3.572","","16.319","","3.884","","90","","90","","90","","226.404","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr (Cu O2)","","- Cu O2 Sr -","- Cu O2 Sr -","- Cu4 O8 Sr4 -","4","0.25","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525983","3.545","","16.066","","3.881","","90","","90","","90","","221.038","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Sr1.19 Ca0.73) Cu2 O4","","- Ca0.73 Cu2 O4 Sr1.19 -","- Ca0.73 Cu2 O4 Sr1.19 -","- Ca1.46 Cu4 O8 Sr2.38 -","2","0.125","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","160571","2020-10-21","18:00:00",""
"1526008","5.8543","","8.79679","","13.1387","","90","","90","","90","","676.631","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Ca Al2 (Si2 O7) (O D)2 (D2 O)","","- Al2 Ca D4 O10 Si2 -","- Al2 Ca D4 O10 Si2 -","- Al8 Ca4 D16 O40 Si8 -","4","0.25","","Meyer, H.W.; Redfern, S.A.T.; Sondergeld, P.; Marion, S.; Carpenter, M.A.; Knight, K.S.; Dove, M.T.","Displacive components of the low-temperature phase transitions in lawsonite","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526077","4.1105","","15.8682","","3.9886","","90","","90","","90","","260.161","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb Mn0.33 Ge2","","- Ge2 Mn0.33 Tb -","- Ge2 Mn0.33 Tb -","- Ge8 Mn1.32 Tb4 -","4","0.25","","Gil, A.; Hofmann, M.; Penc, B.; Szytula, A.","Magnetic structures and magnetic phase transition in Tb Mn0.33 Ge2","Journal of Alloys Compd.","2001","320","","29","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526379","4.1961","","14.42","","18.266","","90","","90","","90","","1105.23","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Bi2.66 Cu Se5","","- Bi2.66 Cu Rb Se5 -","- Bi2.66 Cu Rb Se5 -","- Bi10.64 Cu4 Rb4 Se20 -","4","0.25","","Huang, F.Q.; Mitchell, K.; Ibers, J.A.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526383","4.0762","","13.954","","13.964","","90","","90","","90","","794.262","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Nd2 Cu S4","","- Cu Nd2 Rb S4 -","- Cu Nd2 Rb S4 -","- Cu4 Nd8 Rb4 S16 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternary rare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526384","4.0391","","13.815","","13.86","","90","","90","","90","","773.39","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Sm2 Cu S4","","- Cu Rb S4 Sm2 -","- Cu Rb S4 Sm2 -","- Cu4 Rb4 S16 Sm8 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4,Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526385","4.3129","","14.959","","14.798","","90","","90","","90","","954.718","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs La2 Cu Se4","","- Cs Cu La2 Se4 -","- Cs Cu La2 Se4 -","- Cs4 Cu4 La8 Se16 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4,Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526387","4.2066","","14.6101","","14.5164","","90","","90","","90","","892.161","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Sm2 Cu Se4","","- Cs Cu Se4 Sm2 -","- Cs Cu Se4 Sm2 -","- Cs4 Cu4 Se16 Sm8 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4,Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526388","3.9283","","13.897","","16.348","","90","","90","","90","","892.463","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Er2 Cu3 S5","","- Cu3 Er2 Rb S5 -","- Cu3 Er2 Rb S5 -","- Cu12 Er8 Rb4 S20 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526390","11.4994","","19.17","","6.1251","","90","","90","","90","","1350.24","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 Cu2 Te7","","- Cu2 Gd3 Te7 -","- Cu2 Gd3 Te7 -","- Cu8 Gd12 Te28 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Gd3 Cu2 Te7 and U2 Cu0.78 Te6: two examples of linear Te chains","Journal of Solid State Chemistry","2001","159","","186","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","147563","2020-10-21","18:00:00",""
"1526465","3.82484","","15.5439","","2.9737","","90","","90","","90","","176.795","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","K0.8 Ti1.733 Li0.267 O4 (H2 O)0.112","","- H0.224 K0.8 Li0.267 O4.112 Ti1.733 -","- K0.8 Li0.266 O4.112 Ti1.734 -","- K1.6 Li0.532 O8.224 Ti3.468 -","2","0.125","","Izumi, F.; Ikeda, T.; Sasaki, T.; Kumazawa, S.","Disordered distribution of K(+) ions interlayered in Kx Ti2-x/3 Lix/3 O4 (x = 0.8)","Molecular Crystals and Liquid Crystals","2000","341","","253","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","147657","2020-10-21","18:00:00",""
"1526615","11.2093","","7.4617","","7.60771","","90","","90","","90","","636.312","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La3 (Ru O7)","","- La3 O7 Ru -","- La3 O7 Ru -","- La12 O28 Ru4 -","4","0.25","","Khalifah, P.; Cava, R.J.; Huang, Q.; Lynn, J.W.; Erwin, R.W.","Synthesis and crystal structure of La3 Ru O7","Materials Research Bulletin","2000","35","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526652","4.951","","11.787","","4.019","","90","","90","","90","","234.539","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Si -","- Ba Si -","- Ba4 Si4 -","4","0.25","","Kitano, A.; Yamanaka, S.; Moriguchi, K.; Munetoh, S.; Yonemura, M.; Fukuoka, H.; Shintani, A.; Takata, M.; Nishibori, E.; Sakata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526758","8.2963","","12.7646","","10.1156","","90","","90","","90","","1071.23","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Cu Zr F7","","- Cu F7 K Zr -","- Cu F7 K Zr -","- Cu8 F56 K8 Zr8 -","8","0.5","","Kraus, M.; Mueller, B.G.","K Cu M(IV) F7 (M(IV) = Zr(4+), Hf(4+)), ein neuer Strukturtyp","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1929","1933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526760","8.2894","","12.7742","","10.0999","","90","","90","","90","","1069.48","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Cu Hf F7","","- Cu F7 Hf K -","- Cu F7 Hf K -","- Cu8 F56 Hf8 K8 -","8","0.5","","Kraus, M.; Mueller, B.G.","K Cu M(IV) F7 (M(IV) = Zr(4+), Hf(4+)), ein neuer Strukturtyp","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1929","1933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527120","2.8444","","5.8689","","4.9316","","90","","90","","90","","82.326","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","","","- U -","- U -","- U4 -","4","0.25","","Barrett, C.S.; Mueller, M.H.; Hitterman, R.L.","Crystal structure in alpha uranium at low temperature","Physical Review (1,1893-132,1963/141,1966-188,1969)","1963","129","","625","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527211","3.5161","","14.6605","","18.8303","","90","","90","","90","","970.66","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Nb4 As3","","- As3 Nb4 -","- As3 Nb4 -","- As24 Nb32 -","8","0.5","","Carlsson, B.; Rundqvist, S.","The crystal structure of Nb4 As3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1742","1752","","","","","","","","","","","","","","","","","","","","","","has coordinates","148639","2020-10-21","18:00:00",""
"1527215","8.92","","18.62","","5.39","","90","","90","","90","","895.227","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb Fe6 Sn6","","- Fe6 Sn6 Tb -","- Fe6 Sn6 Tb -","- Fe24 Sn24 Tb4 -","4","0.25","","Chafik El Idrissi, B.; Malaman, B.; Venturini, G.","Crystal structures of R Fe6 Sn6 (R= Sc, Y, Gd-Tm, Lu) rare earths iron stannides","Materials Research Bulletin","1991","26","","1331","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527217","8.889","","74.4","","5.394","","90","","90","","90","","3567.28","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y Fe6 Sn6","","- Fe6 Sn6 Y -","- Fe6 Sn6 Y -","- Fe96 Sn96 Y16 -","16","1","","Chafik El Idrissi, B.; Malaman, B.; Venturini, G.","Crystal structures of R Fe6 Sn6 (R= Sc, Y, Gd-Tm, Lu) rare earths iron stannides","Materials Research Bulletin","1991","26","","1331","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527218","8.906","","37.25","","5.377","","90","","90","","90","","1783.81","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Er Fe6 Sn6 -","- Er Fe6 Sn6 -","- Er8 Fe48 Sn48 -","8","0.5","","Chafik El Idrissi, B.; Malaman, B.; Venturini, G.","Crystal structures of R Fe6 Sn6 (R= Sc, Y, Gd-Tm, Lu) rare earths iron stannides","Materials Research Bulletin","1991","26","","1331","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527241","4.463","","17.062","","4.379","","90","","90","","90","","333.451","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn2 Th -","- Sn2 Th -","- Sn8 Th4 -","4","0.25","","Cirafici, S.; Palenzona, A.; Manfrinetti, P.","The Th-Sn phase diagram","Journal of the Less-Common Metals","1983","90","","49","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527386","3.9743","","14.492","","13.73","","90","","90","","90","","790.787","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Hf Te5 -","- Hf Te5 -","- Hf4 Te20 -","4","0.25","","Furuseth, S.; Brattas, L.; Kjekshus, A.","The crystal structure of Hf Te5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2367","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527427","3.862","","10.653","","4.398","","90","","90","","90","","180.942","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Ce0.8 La0.2) (Ni0.8 Pt0.2)","","- Ce0.8 La0.2 Ni0.8 Pt0.2 -","- Ce0.8 La0.2 Ni0.8 Pt0.2 -","- Ce3.2 La0.8 Ni3.2 Pt0.8 -","4","0.25","","Gomez Sal, J.C.; Kappler, J.P.; Espeso, J.I.; Fernandes, J.R.; Blanco, J.A.; Carvajal, J.R.","Crystallographic study and magnetic structures of Ce Nix Pt1-x and diluted related compounds","Solid State Communications","1993","87","","863","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","149002","2020-10-21","18:00:00",""
"1527428","3.87","","10.722","","4.443","","90","","90","","90","","184.358","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ce2 (Ni Pt)","","- Ce2 Ni Pt -","- Ce2 Ni Pt -","- Ce4 Ni2 Pt2 -","2","0.125","","Gomez Sal, J.C.; Blanco, J.A.; Fernandes, J.R.; Espeso, J.I.; Kappler, J.P.; Carvajal, J.R.","Crystallographic study and magnetic structures of Ce Nix Pt1-x and diluted related compounds","Solid State Communications","1993","87","","863","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527429","3.752","","10.488","","4.329","","90","","90","","90","","170.35","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Ce0.9 Y0.1) (Ni0.8 Pt0.2)","","- Ce0.9 Ni0.8 Pt0.2 Y0.1 -","- Ce0.9 Ni0.8 Pt0.2 Y0.1 -","- Ce3.6 Ni3.2 Pt0.8 Y0.4 -","4","0.25","","Gomez Sal, J.C.; Espeso, J.I.; Kappler, J.P.; Fernandes, J.R.; Blanco, J.A.; Carvajal, J.R.","Crystallographic study and magnetic structures of Ce Nix Pt1-x and diluted related compounds","Solid State Communications","1993","87","","863","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","149004","2020-10-21","18:00:00",""
"1527447","4.419","","26.222","","4.422","","90","","90","","90","","512.399","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce3 Ge6 Pt4 -","- Ce3 Ge6 Pt4 -","- Ce6 Ge12 Pt8 -","2","0.125","","Gribanov, A.V.; Sologub, O.L.; Salamakha, P.S.; Seropegin, Yu.D.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of the compound Ce3 Pt4 Ge6","Journal of Alloys Compd.","1992","179","","7","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527505","4.37","","11.75","","5.42","","90","","90","","90","","278.303","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K (Cu O2)","","- Cu K O2 -","- Cu K O2 -","- Cu4 K4 O8 -","4","0.25","","Hestermann, K.; Hoppe, R.","Die Kristallstruktur von K Cu O2, Rb Cu O2 und Cs Cu O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","249","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527506","4.78","","12.02","","5.43","","90","","90","","90","","311.984","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb Cu O2","","- Cu O2 Rb -","- Cu O2 Rb -","- Cu4 O8 Rb4 -","4","0.25","","Hestermann, K.; Hoppe, R.","Die Kristallstruktur von K Cu O2, Rb Cu O2 und Cs Cu O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","249","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527507","5.22","","12.19","","5.43","","90","","90","","90","","345.521","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs Cu O2 -","- Cs Cu O2 -","- Cs4 Cu4 O8 -","4","0.25","","Hestermann, K.; Hoppe, R.","Die Kristallstruktur von K Cu O2, Rb Cu O2 und Cs Cu O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","249","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527523","8.7835","","11.219","","5.286","","90","","90","","90","","520.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Fe2 S3 -","- Ba Fe2 S3 -","- Ba4 Fe8 S12 -","4","0.25","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527563","10.459","","8.753","","10.459","","90","","90","","90","","957.497","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(Co (N O) (N H3)5) Cl2","","- Cl2 Co H12 N6 O -","- Cl2 Co H12 N6 O -","- Cl8 Co4 H48 N24 O4 -","4","0.25","","Ibers, J.A.; Pratt, C.S.; Coyle, B.A.","Redetermination of the structure of nitrosylpentaamminecobalt(III) dichloride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","2146","2151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527568","4.0584","","13.8637","","10.3733","","90","","90","","90","","583.648","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Cu4 S3 -","- Ba Cu4 S3 -","- Ba4 Cu16 S12 -","4","0.25","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","The crystal structures and phase transition of alpha and beta Ba Cu4 S3","Materials Research Bulletin","1972","7","","1247","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527681","4.078","","9.93","","13.243","","90","","90","","90","","536.269","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co2 Ge3 Sc3 -","- Co2 Ge3 Sc3 -","- Co8 Ge12 Sc12 -","4","0.25","","Kotur, B.Ya.; Andrusyak, R.I.","Interaction of scandium and germanium with cobalt and nickel","Neorganicheskie Materialy","1991","27","","1433","1439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527692","5.735","","9.19","","4.755","","90","","90","","90","","250.611","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ni O2 -","- Ba Ni O2 -","- Ba4 Ni4 O8 -","4","0.25","","Krischner, H.; Torkar, K.; Kolbesen, B.O.","Beitraege zum System Ba O-Ni O","Journal of Solid State Chemistry","1971","3","","349","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527722","4.288","","16.718","","4.238","","90","","90","","90","","303.809","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Pt Si2 -","- Ce Pt Si2 -","- Ce4 Pt4 Si8 -","4","0.25","","Lee, W.H.; Kwan, K.S.; Klavins, P.; Shelton, R.N.","Crystal structure, resistivity, magnetic susceptibility and heat capacity of a new dense Kondo system: Ce Pt Si2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","6542","6545","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527778","3.321","","10.966","","8.825","","90","","90","","90","","321.39","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Fe Zr3 -","- Fe Zr3 -","- Fe4 Zr12 -","4","0.25","","Matkovic, P.; Matkovic, T.; Vickovic, I.","Crystal structure of the compound Fe Zr3","Metalurgija, Croatia","1990","29","","3","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527831","3.24","","13.01","","4.01","","90","","90","","90","","169.031","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sc O (O H)","","- H O2 Sc -","- O2 Sc -","- O8 Sc4 -","4","0.25","","Milligan, W.O.; McAtee, J.L.","Crystal structure of gamma Al O O H and gamma Sc O O H","Journal of Physical Chemistry","1956","60","","273","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528003","3.437","","11.86","","17.06","","90","","90","","90","","695.414","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ni5 Se5 -","- Ni5 Se5 -","- Ni20 Se20 -","4","0.25","","Rost, E.; Haugsten, K.","The crystal structure of Ni6+x Se5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3194","3196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528025","4.1034","","17.489","","4.0267","","90","","90","","90","","288.974","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Mn Si2 -","- Ce Mn Si2 -","- Ce4 Mn4 Si8 -","4","0.25","","Schobinger-Papamantellos, P.; Brabers, J.H.V.J.; de Boer, F.R.; Buschow, K.H.J.","Magnetic properties of of rare earth-maganese compounds of the type R Mn Si2","Journal of Alloys Compd.","1994","203","","23","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528026","4.2392","","16.7546","","4.2005","","90","","90","","90","","298.345","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Ge2 Ni -","- Ce Ge2 Ni -","- Ce4 Ge8 Ni4 -","4","0.25","","Schobinger-Papamantellos, P.; Krimmel, A.; Grauel, A.; Buschow, K.H.J.","Magnetic ordering of Nd Ni Ge2 and Ce Ni Ge2 studied by neutron diffraction and magnetic measurements","Journal of Magnetism and Magnetic Materials","1993","125","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528036","3.8812","","14.0657","","3.728","","90","","90","","90","","203.518","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo O2.69 (O H)0.31","","- H0.31 Mo O3 -","- H0.31 Mo O3 -","- H1.24 Mo4 O12 -","4","0.25","","Schroeder, F.A.; Weitzel, H.","Mo4 O10 (O H)2 - Eine Verbindung mit nicht ganzzahliger Stoechiometrie: Mo O3-x (O H)x","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","435","","247","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528098","3.893","","10.264","","10.264","","90","","90","","90","","410.126","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ta3 N5","","- N5 Ta3 -","- N5 Ta3 -","- N20 Ta12 -","4","0.25","","Straehle, J.","Die Kristallstruktur des Tantal(V)nitrids Ta3 N5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","402","","47","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","150008","2020-10-21","18:00:00",""
"1528108","4.442","","10.68","","7.449","","90","","90","","90","","353.385","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Cu In2 -","- Ca Cu In2 -","- Ca4 Cu4 In8 -","4","0.25","","Sysa, L.V.; Kal'ichak, Ya.M.","New ternary compounds of indium with calcium (europium) and copper (nickel)","Kristallografiya","1993","38","","271","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528112","4.401","","16.549","","7.294","","90","","90","","90","","531.238","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca In4 Ni -","- Ca In4 Ni -","- Ca4 In16 Ni4 -","4","0.25","","Sysa, L.V.; Kal'ichak, Ya.M.","New ternary compounds of indium with calcium (europium) and copper (nickel)","Kristallografiya","1993","38","","271","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528113","4.493","","16.935","","7.373","","90","","90","","90","","561.004","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu Cu In4","","- Cu Eu In4 -","- Cu Eu In4 -","- Cu4 Eu4 In16 -","4","0.25","","Sysa, L.V.; Kal'ichak, Ya.M.","New ternary compounds of indium with calcium (europium) and copper (nickel)","Kristallografiya","1993","38","","271","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528126","5.1675","","14.435","","5.9664","","90","","90","","90","","445.051","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs Ge H3 -","- Cs Ge -","- Cs4 Ge4 -","4","0.25","","Thirase, G.; Weiss, E.; Lechert, H.; Hennig, H.J.","Praeparative, roentgenographische und 1H-Breitlinienresonanz-Untersuchungen an Germylalkaliverbindungen, Ge H3 M","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","417","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528129","4.195","","10.353","","3.779","","90","","90","","90","","164.125","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Si -","- Er Si -","- Er4 Si4 -","4","0.25","","Thuery, P.; Andre, G.; Schobinger-Papamantellos, P.; Clin, M.; el Maziani, F.","Neutron diffraction study of the magnetic structure of Er Si","Journal of Magnetism and Magnetic Materials","1992","109","","197","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528143","5.763","","8.742","","6.385","","90","","90","","90","","321.677","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","In0.6 Li1.2 V O4","","- In0.6 Li1.2 O4 V -","- In0.6 Li1.2 O4 V -","- In2.4 Li4.8 O16 V4 -","4","0.25","","Touboul, M.; Toledano, P.","Structure cristalline du vanadate mixte In0.6 Li1.2 V O4","Journal of Solid State Chemistry","1981","38","","386","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528246","6.04","","9.04","","10.56","","90","","90","","90","","576.593","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K3 Ni2 O4 -","- K3 Ni2 O4 -","- K12 Ni8 O16 -","4","0.25","","Zentgraf, H.; Claes, K.; Hoppe, R.","Oxide eines neuen Formeltyps: Zur Kenntnis von K3 Ni2 O4 und K3 Pt2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","92","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528247","6.15","","9.26","","11.51","","90","","90","","90","","655.483","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K3 Pt2 O4","","- K3 O4 Pt2 -","- K3 O4 Pt2 -","- K12 O16 Pt8 -","4","0.25","","Zentgraf, H.; Hoppe, R.; Claes, K.","Oxide eines neuen Formeltyps: Zur Kenntnis von K3 Ni2 O4 und K3 Pt2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","92","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","150241","2020-10-21","18:00:00",""
"1528391","5.6314","","8.6226","","6.2439","","90","","90","","90","","303.187","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Mg (V O4)","","- Li Mg O4 V -","- Li Mg O4 V -","- Li4 Mg4 O16 V4 -","4","0.25","","Capsoni, D.; Galinetto, P.; Bini, M.; Mustarelli, P.; Belotti, F.; Massarotti, V.","Cation distribution in Li Mg V O4 and Li Zn V O4: structural and spectroscopic study","J. Phys. Chem. B","2006","110","","5409","5415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528453","4.3262","","14.181","","16.556","","90","","90","","90","","1015.71","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Pb2 Sb S2 I3","","- I3 Pb2 S2 Sb -","- I3 Pb2 S2 Sb -","- I12 Pb8 S8 Sb4 -","4","0.25","","Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Evain, M.","Crystal structure of Pb2 Sb S2 I3, and re-examination of the crystal chemistry within the group of (Pb/Sn/Sb) chalcogeno-iodides","Solid State Sciences","2007","9","","792","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528606","3.212","","13.985","","3.102","","90","","90","","90","","139.341","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo Al B","","- Al B Mo -","- Al B Mo -","- Al4 B4 Mo4 -","4","0.25","","Jeitschko, W.","Die Kristallstruktur von Mo Al B","Monatshefte fuer Chemie (-108,1977)","1966","97","","1472","1476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528609","3.8922","","12.648","","9.621","","90","","90","","90","","473.628","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd1.05 Sc0.95 Se3 -","- Gd1.052 Sc0.948 Se3 -","- Gd4.208 Sc3.792 Se12 -","4","0.25","","Jin Gengbang; Choi Eunsang; Albrecht-Schmitt, T.E.","Syntheses, structures, magnetism, and optical properties of gadolinium scandium chalcogenides","Journal of Solid State Chemistry","2009","182","","1075","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528726","18.074","","20.446","","7.531","","90","","90","","90","","2783.01","","","","","","","","","","","","","8","C m c m","-C 2c 2","63","","(Ca0.439 Mg0.008 Sr0.001) ((Fe0.007 Si10.133 Al1.85) O24) (H2 O)4.887","","- Al1.85 Ca0.439 Fe0.007 H9.774 Mg0.008 O28.887 Si10.133 Sr0.001 -","- Al1.8504 Ca0.4395 Fe0.0072 Mg0.0079 O28.887 Si10.1328 Sr0.0008 -","- Al7.4016 Ca1.758 Fe0.0288 Mg0.0316 O115.548 Si40.5312 Sr0.0032 -","4","0.25","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite","European Journal of Mineralogy (1,1989-)","2003","15","","485","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528853","3.72","","14.76","","3.67","","90","","90","","90","","201.509","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zr Si2","","- Si2 Zr -","- Si2 Zr -","- Si8 Zr4 -","4","0.25","","Schachner, H.; Nowotny, H.; Kudielka, H.","Die Kristallstrukturen von Zr Si und Zr Si2","Monatshefte fuer Chemie (-108,1977)","1954","85","","1140","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528917","13.305","","8.884","","11.813","","90","","90","","90","","1396.32","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 Pt I5","","- I5 K2 Pt -","- I5 K2 Pt -","- I20 K8 Pt4 -","4","0.25","","Thiele, G.; Mrozek, C.; Wittmann, K.; Wirkner, H.","Ueber die Iodoplatinate M2 Pt I5 (M = K, Rb, N H4)","Naturwissenschaften","1978","65","","206","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528918","13.386","","8.985","","11.882","","90","","90","","90","","1429.09","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb2 Pt I5","","- I5 Pt Rb2 -","- I5 Pt Rb2 -","- I20 Pt4 Rb8 -","4","0.25","","Thiele, G.; Mrozek, C.; Wittmann, K.; Wirkner, H.","Ueber die Iodoplatinate M2 Pt I5 (M = K, Rb, N H4)","Naturwissenschaften","1978","65","","206","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528946","2.462","","8.053","","6.108","","90","","90","","90","","121.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mg Si O3","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.25","","Tsuchiya, T.; Wentzcovitch, R.M.; Umemoto, S.; Tsuchiya, J.","Phase transition in Mg Si O3 perovskite in the earth's lower mantle","Earth and Planetary Science Letters","2004","224","","241","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529418","5.9423","0.00006","14.42109","0.00012","7.14028","0.00007","90","","90","","90","","611.882","0.01","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- D12 F4 N2 O2 W -","- F4 N2 O2 W -","- F16 N8 O8 W4 -","4","0.25","","I.N. Flerov; V.D. Fokina; M.V. Gorev; E.V. Bogdanov; M.S. Molokeev; A.F. Bovina; A.G. Kocharova","Effect of deuteration on the thermal properties and structural parameters of the (NH4)2WO2F4 oxyfluoride","Physics of the Solid State","2007","49","6","1149","1156","10.1134/S1063783407060212","powder diffraction","","","X-ray","","","","","","","","","7.7246","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529786","14.866","","10.694","","7.028","","90","","90","","90","","1117.29","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Yb4 Ge3 O9 F6","","- F6 Ge3 O9 Yb4 -","- F6 Ge3 O9 Yb4 -","- F24 Ge12 O36 Yb16 -","4","0.25","","Dago, A.M.; Pushcharovskii, D.Yu.; Pobedimskaya, E.A.; Strelkova, E.E.; Belov, N.V.","Tr4 Ge3 O9 (O H, F)6, a new structural type in the series of rare-earth germanates","Doklady Akademii Nauk SSSR","1980","250","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","154414","2020-10-21","18:00:00",""
"1530042","10.477","","10.312","","10.006","","90","","90","","90","","1081.04","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Nb4 As O13","","- As K Nb4 O13 -","- As K Nb4 O13 -","- As4 K4 Nb16 O52 -","4","0.25","","Haddad, A.; Jouini, T.; Piffard, Y.; Jouini, N.","K Nb4 As O13: Preparation et structure cristalline","Journal of Solid State Chemistry","1988","77","","293","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530135","3.764","","9.917","","3.748","","90","","90","","90","","139.904","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zr Si","","- Si Zr -","- Si Zr -","- Si4 Zr4 -","4","0.25","","Karpinskii, O.G.; Shamrai, V.F.","The crystal structure of the compound Zr Si (type Cr B)","Izvestiya Akademii Nauk SSSR, Metally","1969","1969","","209","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530470","4.334","","14.024","","10.013","","90","","90","","90","","608.59","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","U I3","","- I3 U -","- I3 U -","- I12 U4 -","4","0.25","","Murasik, A.; Fischer, P.; Szczepaniak, W.","Neutron diffraction study of long-range antiferromagnetic order and crystal structure of uranium (III) tri-iodide","Journal of Physics C","1981","14","","1847","1854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530493","15.195","","10.909","","7.161","","90","","90","","90","","1187.02","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Sm4 Ge3 O9 (O H)6","","- Ge3 H6 O15 Sm4 -","- Ge3 O15 Sm4 -","- Ge12 O60 Sm16 -","4","0.25","","Nikol'skii, Yu.V.; Maksimov, B.A.; Dem'yanets, L.N.; Ilyukhin, V.V.; Belov, N.V.","Crystal structure of the synthetic rare earth germanate Sm4 Ge3 O9 (O H)6 = Sm4 (Ge(VI) Ge(IV)2 O9) (O H)6","Doklady Akademii Nauk SSSR","1977","233","","362","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530503","7.442","","17.307","","8.077","","90","","90","","90","","1040.31","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Cs2 Fe Cl5 (H2 O)","","- Cl5 Cs2 Fe H2 O -","- Cl5 Cs2 Fe O -","- Cl20 Cs8 Fe4 O4 -","4","0.25","","O'Connor, C.J.; Deaver, B.S.jr.; Sinn, E.","Crystal structures of A2 Fe Cl5 (H2 O) (A = Rb(+), Cs(+)) and field dependent superconducting susceptometer measurements","Journal of Chemical Physics","1979","70","","5161","5167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530623","14.927","","10.732","","7.047","","90","","90","","90","","1128.91","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Er4 Ge3 O9 (O H)6","","- Er4 Ge3 H6 O15 -","- Er4 Ge3 O15 -","- Er16 Ge12 O60 -","4","0.25","","Pushcharovskii, D.Yu.; Dago, A.M.; Belov, N.V.; Pobedimskaya, E.A.","Crystal structure of erbium germanogermanate Er4 Ge3 O9 ((O H), F)6. Crystal-chemical features of the structural type Tr4 (Ge(VI) Ge2(IV) O9) ((O H), F)6 (Tr=Er-Lu)","Doklady Akademii Nauk SSSR","1980","251","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530663","3.747","","9.465","","9.715","","90","","90","","90","","344.546","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ti3 O5","","- O5 Ti3 -","- O5 Ti3 -","- O20 Ti12 -","4","0.25","","Rusakov, A.A.; Zhdanov, G.S.","The crystal structure and the chemical formula of titanic oxide Ti3 O5 (Anosovite)","Doklady Akademii Nauk SSSR","1951","77","","411","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","155801","2020-10-21","18:00:00",""
"1530682","6.306","","18.358","","6.321","","90","","90","","90","","731.754","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","K2 (Ru (N O) F5) (H2 O)","","- F5 H2 K2 N O2 Ru -","- F5 H2 K2 N O2 Ru -","- F20 H8 K8 N4 O8 Ru4 -","4","0.25","","Salomov, A.S.; Porai-Koshits, M.A.; Sharipov, Kh.T.; Parpiev, N.A.; Mikhailov, Yu.N.; Sinitsyn, N.M.; Kanishcheva, A.S.; Svetlov, A.A.","Crystal structure of monohydrates of pentafluoronitrosyl complexes of osmium and ruthenium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1285","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211138","2020-10-21","18:00:00",""
"1530683","5.955","","18.204","","6.045","","90","","90","","90","","655.307","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","Na K (Os (N O) F5) (H2 O)","","- F5 H2 K N Na O2 Os -","- F5 H2 K N Na O2 Os -","- F20 H8 K4 N4 Na4 O8 Os4 -","4","0.25","","Salomov, A.S.; Sharipov, Kh.T.; Parpiev, N.A.; Sinitsyn, N.M.; Porai-Koshits, M.A.; Svetlov, A.A.; Kanishcheva, A.S.; Mikhailov, Yu.N.","Crystal structure of monohydrates of pentafluoronitrosyl complexes of osmium and ruthenium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1285","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211138","2020-10-21","18:00:00",""
"1530684","6.75","","19.534","","6.787","","90","","90","","90","","894.896","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Cs2 (Os (N O) F5) (H2 O)","","- Cs2 F5 H2 N O2 Os -","- Cs2 F5 H2 N O2 Os -","- Cs8 F20 H8 N4 O8 Os4 -","4","0.25","","Salomov, A.S.; Sharipov, Kh.T.; Svetlov, A.A.; Parpiev, N.A.; Mikhailov, Yu.N.; Kanishcheva, A.S.; Porai-Koshits, M.A.; Sinitsyn, N.M.","Crystal structure of monohydrates of pentafluoronitrosyl complexes of osmium and ruthenium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","1285","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211138","2020-10-21","18:00:00",""
"1530824","2.876","","9.31","","6.987","","90","","90","","90","","187.081","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(V0.46 Cr0.54) (V0.22 Cr0.78)2 C1.44","","- C1.44 Cr2.1 V0.9 -","- C1.44 Cr2.1 V0.9 -","- C5.76 Cr8.4 V3.6 -","4","0.25","","Steurer, W.; Rogl, P.; Kunsh, B.; Boller, H.; Nowotny, H.","A neutron powder diffraction study of (V, Cr)3 C(2-x)","Journal of the Less-Common Metals","1980","76","","145","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","156039","2020-10-21","18:00:00",""
"1530865","2.854","","9.284","","6.999","","90","","90","","90","","185.449","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cr2 V C2","","- C2 Cr2 V -","- C2 Cr2 V -","- C8 Cr8 V4 -","4","0.25","","Telegus, V.S.; Kuz'ma, Yu.B.; Kripyakevich, P.I.","The crystal structure of the compound V Cr2 C2","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1967","1967","","545","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530875","5.849","","12.793","","5.514","","90","","90","","90","","412.592","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba Sb O2 Cl","","- Ba Cl O2 Sb -","- Ba Cl O2 Sb -","- Ba4 Cl4 O8 Sb4 -","4","0.25","","Thuillier-Chevin, F.; Maraine, P.; Perez, G.","Structure cristalline du chlorodioxoantimoniate de baryum Ba Sb O2 Cl","Revue de Chimie Minerale","1980","17","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530896","10.05","","10.21","","9.98","","90","","90","","90","","1024.05","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(N H4) (Mn Cl3)","","- Cl3 H4 Mn N -","- Cl3 Mn N -","- Cl24 Mn8 N8 -","8","0.5","","Tornero, J.D.; Cano, F.H.; Fayos, J.; Martinez-Ripoll, M.","X-ray single crystal analysis of the phase transitions in N H4 Mn Cl3. Some Moessbauer-X-Ray spectra relations","Ferroelectrics","1978","19","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530993","4.375","","11.699","","5.417","","90","","90","","90","","277.259","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K Cu O2","","- Cu K O2 -","- Cu K O2 -","- Cu4 K4 O8 -","4","0.25","","Weller, M.T.; Lines, D.R.","Structure and Oxidation State Relationships in Ternary Copper Oxides","Journal of Solid State Chemistry","1989","82","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530997","3.367","","10.313","","4.063","","90","","90","","90","","141.083","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr Ni D","","- D Ni Zr -","- D Ni Zr -","- D4 Ni4 Zr4 -","4","0.25","","Westlake, D.G.; Shaked, H.; McCart, B.R.; Amano, M.; Mason, P.R.; Mueller, M.H.; Matsumoto, T.","Interstitial site occupation in Zr Ni H","Journal of the Less-Common Metals","1982","88","","17","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531009","3.831","","9.862","","13.003","","90","","90","","90","","491.271","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Hf3 Ni2 Si3 -","- Hf3 Ni2 Si3 -","- Hf12 Ni8 Si12 -","4","0.25","","Yarmolyuk, Ya.P.; Grin', Yu.; Gladyshevskii, E.I.","Crystal structure of Hf3 Ni2 Si3","Kristallografiya","1977","22","","726","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531062","10.0236","","9.098","","10.357","","90","","90","","90","","944.504","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(Cr (N O) (N H3)5) Cl2","","- Cl2 Cr H15 N6 O -","- Cl2 Cr H15 N6 O -","- Cl8 Cr4 H60 N24 O4 -","4","0.25","","Akashi, H.; Nishiura, M.; Shibahara, T.; Mori, M.","Effect of outer sphere anions on the structure and color of nitrosylpentaamminechromium complex","Inorganica Chimica Acta","2002","331","","290","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531106","3.532","","20.204","","4.969","","90","","90","","90","","354.59","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca2 In N -","- Ca2 In N -","- Ca8 In4 N4 -","4","0.25","","Bailey, M.S.; DiSalvo, F.J.","The synthesis and structure of Ca2 In N, a novel ternary indium nitride","Journal of Alloys Compd.","2003","353","","146","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531133","19.37","","5.27","","5.27","","90","","90","","90","","537.961","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca3 (Mn2 O7)","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.25","","Bendersky, L.A.; Chen Rongji; Fawcett, I.D.; Greenblatt, M.","TEM study of the electron-doped layered La2-2x Ca1+2x Mn2 O7: orthorhombic phase in the 0.8 < x < 1.0 composition range","Journal of Solid State Chemistry","2001","157","","309","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","156477","2020-10-21","18:00:00",""
"1531134","3.5263","","10.4839","","4.3083","","90","","90","","90","","159.275","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr Ni D2.52","","- D2.52 Ni Zr -","- D2.518 Ni Zr -","- D10.072 Ni4 Zr4 -","4","0.25","","Bououdina, M.; Lambert-Andron, B.; Ouladdiaf, B.; Pairis, S.; Fruchart, D.","Structural investigation by neutron diffraction of equi-atomic Zr - Ti(V) - Ni(Co) compounds and their related hydrides","Journal of Alloys Compd.","2003","356","","54","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531250","4.1571","","11.268","","13.155","","90","","90","","90","","616.209","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu Ga2 Ge4 -","- Eu Ga1.998 Ge4.002 -","- Eu4 Ga7.992 Ge16.008 -","4","0.25","","Carrillo-Cabrera, W.; Grin', Yu.; Paschen, S.","Eu Ga2+x Ge4-x: preparation, crystal chemistry and properties","Journal of Alloys Compd.","2002","333","","4","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531252","4.229","","12.618","","6.309","","90","","90","","90","","336.658","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Np Si -","- Np Si -","- Np8 Si8 -","8","0.5","","Boulet, P.; Rebizant, J.; Bouexiere, D.; Wastin, F.","Structural chemistry of the neptunium-silicon binary system","Journal of Alloys Compd.","2003","349","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531356","4.259","","17.2089","","4.1258","","90","","90","","90","","302.391","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Cu0.86 Ge2 -","- Ce Cu0.86 Ge2 -","- Ce4 Cu3.44 Ge8 -","4","0.25","","Gil, A.; Penc, B.; Gondek, L.; Hernandez-Velasco, J.; Szytula, A.","Crystal and magnetic structure of Ce Cu0.86 Ge2","Journal of Alloys Compd.","2002","346","","43","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531564","4.1417","","14.6422","","17.4543","","90","","90","","90","","1058.49","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs (Gd2 Cu3 Se5)","","- Cs Cu3 Gd2 Se5 -","- Cs Cu3 Gd2 Se5 -","- Cs4 Cu12 Gd8 Se20 -","4","0.25","","Ijjaali, I.; Ibers, J.A.","Preparation and structures of Cs Gd2 Cu3 Se5 and Cs Tb2 Cu3 Se5","Journal of Alloys Compd.","2003","353","","124","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531567","4.1268","","14.6204","","17.339","","90","","90","","90","","1046.16","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs (Tb2 Cu3 Se5)","","- Cs Cu3 Se5 Tb2 -","- Cs Cu3 Se5 Tb2 -","- Cs4 Cu12 Se20 Tb8 -","4","0.25","","Ijjaali, I.; Ibers, J.A.","Preparation and structures of Cs Gd2 Cu3 Se5 and Cs Tb2 Cu3 Se5","Journal of Alloys Compd.","2003","353","","124","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531612","9.106","","11.37","","11.47","","90","","90","","90","","1187.55","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Al I3) (N H3)5","","- Al H15 I3 N5 -","- Al H15 I3 N5 -","- Al4 H60 I12 N20 -","4","0.25","","Jacobs, H.; Schroeder, F.O.","Penta-ammoniates of aluminium halides: the crystal structures of Al X3 * 5(N H3) with X = Cl, Br, I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","951","955","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531665","10.941","","7.4566","","7.5993","","90","","90","","90","","619.971","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr3 (Re O7)","","- O7 Pr3 Re -","- O7 Pr3 Re -","- O28 Pr12 Re4 -","4","0.25","","Lam, R.; Langet, T.; Greedan, J.E.","Structure and magnetism in Pr3 Re O7 and Nd3 Re O7 - materials with an ordered, defect fluorite structure","Journal of Solid State Chemistry","2003","171","","317","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531667","10.867","","7.4594","","7.574","","90","","90","","90","","613.958","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd3 (Re O7)","","- Nd3 O7 Re -","- Nd3 O7 Re -","- Nd12 O28 Re4 -","4","0.25","","Lam, R.; Langet, T.; Greedan, J.E.","Structure and magnetism in Pr3 Re O7 and Nd3 Re O7 - materials withan ordered, defect fluorite structure","Journal of Solid State Chemistry","2003","171","","317","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531820","4.156","","10.275","","3.761","","90","","90","","90","","160.606","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(Tb0.4 Sc0.6) Si","","- Sc0.6 Si Tb0.4 -","- Sc0.6 Si Tb0.4 -","- Sc2.4 Si4 Tb1.6 -","4","0.25","","Morozkin, A.V.; Welter, R.","Phase equilibria in the Gd - Sc - Si and Tb - Sc - Si systems at 1100 K","Journal of Alloys Compd.","2002","336","","202","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531896","18.122","","20.457","","7.515","","90","","90","","90","","2785.97","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Ca3.4 (Al7.4 Si40.6 O96) (H2 O)31","","- Al7.4 Ca3.4 H62 O127 Si40.6 -","- Al7.44 Ca3.38 O127.06 Si40.56 -","- Al7.44 Ca3.38 O127.06 Si40.56 -","1","0.0625","","Mortier, W.J.; Smith, J.V.; Pluth, J.J.","Positions of cations and molecules in zeolites with the mordenite-type framework, III. Rehydrated Ca-exchanged ptilolite","Materials Research Bulletin","1976","11","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532041","4.2266","","10.303","","8.36","","90","","90","","90","","364.05","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Mg2 Ni -","- La Mg2 Ni -","- La4 Mg8 Ni4 -","4","0.25","","Renaudin, G.; Guenee, L.; Yvon, K.","La Mg2 Ni H7, a novel quaternary metal hydride containing tetrahedral (Ni H4)(4-) complexes and hydride anions","Journal of Alloys Compd.","2003","350","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532095","5.685","","8.903","","9.122","","90","","90","","90","","461.697","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Al0.185 B6 C N0.256","","- C Al0.185 B6 N0.256 -","- C Al0.1835 B6 N0.2565 -","- C8 Al1.468 B48 N2.052 -","8","0.5","","Rizzoli, C.; Salamakha, P.S.; Sologub, O.L.; Bocelli, G.","X-ray investigation of the Al - B - N ternary system: isothermal section at 1500 C: crystal structure of the Al0.185 B6 C N0.256 compound","Journal of Alloys Compd.","2002","343","","135","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532214","10.529","","10.31","","9.46","","90","","90","","90","","1026.92","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs2 (Pd Cl4)","","- Cl4 Cs2 Pd -","- Cl4 Cs2 Pd -","- Cl16 Cs8 Pd4 -","4","0.25","","Schuepp, B.; Schroeder, L.; Mattern, N.; Keller, H.L.; Baehtz, C.; Schulte, H.","Cs2 (Pd Cl4) - neue Ergebnisse zu einer ""altbekannten"" Verbindung","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1708","1714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532217","20.502","","5.4494","","5.3981","","90","","90","","90","","603.095","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La3 Ni2 O6.84 -","- La3 Ni2 O6.84 -","- La12 Ni8 O27.36 -","4","0.25","","Voronin, V.I.; Cherepanov, V.A.; Berger, I.F.; Gavrilova, L.Ya.; Tolochko, B.P.; Nikitenko, S.G.; Ancharov, A.I.; Petrov, A.N.","Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin Oy (n = 1, 2, 3)","Nuclear Instruments & Methods in Physics Research A","2001","470","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532249","12.1518","","9.3431","","14.4403","","90","","90","","90","","1639.49","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Li2 (H2 O)7) (B12 H12)","","- B12 H26 Li2 O7 -","- B12 H26 Li2 O7 -","- B48 H104 Li8 O28 -","4","0.25","","Tiritiris, I.; Schleid, T.","Untersuchungen zur Kristallstruktur von Lithium-dodecahydro-closo-dodecaborat aus waessriger Loesung: Li2 (H2 O)7 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1411","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532424","3.706","","14.735","","3.672","","90","","90","","90","","200.52","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zr Si2","","- Si2 Zr -","- Si2 Zr -","- Si8 Zr4 -","4","0.25","","Zatorska, G.M.; Dmytriv, G.S.; Jaskolski, M.; Bartzokas, A.; Pavlyuk, V.V.","Crystal structure of the new intermetallic compound Zr2-x Lix+y Si1-y (x=0.17, y=0.12) and its relation with the disilicide Zr Si2","Journal of Alloys Compd.","2002","346","","154","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532426","4.09","","13.829","","14.234","","90","","90","","90","","805.084","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Ho2 Cu Se4","","- Cu Ho2 K Se4 -","- Cu Ho2 K Se4 -","- Cu4 Ho8 K4 Se16 -","4","0.25","","Zeng, H.-Y.; Mao, J.-G.; Guo, G.-C.; Chen, J.-T.; Dong Zhenchao; Huang, J.-S.","Synthesis and structure of IR-transparent rare-earth selenides K Ln2 Cu Se4 (Ln = Ho, Er)","Journal of Alloys Compd.","2002","336","","148","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532427","4.061","","13.748","","14.15","","90","","90","","90","","790.003","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Er2 Cu Se4","","- Cu Er2 K Se4 -","- Cu Er2 K Se4 -","- Cu4 Er8 K4 Se16 -","4","0.25","","Zeng, H.-Y.; Mao, J.-G.; Huang, J.-S.; Chen, J.-T.; Dong Zhenchao; Guo, G.-C.","Synthesis and structure of IR-transparent rare-earth selenides K Ln2 Cu Se4 (Ln = Ho, Er)","Journal of Alloys Compd.","2002","336","","148","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532430","4.089","","14.498","","16.977","","90","","90","","90","","1006.44","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Er2 Cu3 Se5","","- Cu3 Er2 Rb Se5 -","- Cu3 Er2 Rb Se5 -","- Cu12 Er8 Rb4 Se20 -","4","0.25","","Zeng, H.-Y.; Guo, G.-C.; Dong Zhenchao; Mao, J.-G.; Huang, J.-S.","Synthesis annd single crystal structure of Rb Er2 Cu3 Se5","Jiegon Huaxue","2002","21","","497","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532539","9.06282","","11.4825","","10.94024","","90","","90","","90","","1138.48","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Pb5 (Sb2 Mn O11)","","- Mn O11 Pb5 Sb2 -","- Mn O11 Pb5 Sb2 -","- Mn4 O44 Pb20 Sb8 -","4","0.25","","Abakumov, A.M.; Rozova, M.G.; Chizhov, P.S.; van Tendeloo, G.; Antipov, E.V.; Hadermann, J.","Synthesis and crystal structure of the novel Pb5 Sb2 Mn O11 compound","Journal of Solid State Chemistry","2004","177","","2855","2861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532577","4.0304","","12.795","","9.2883","","90","","90","","90","","478.988","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Th (Mn Se3)","","- Mn Se3 Th -","- Mn Se3 Th -","- Mn4 Se12 Th4 -","4","0.25","","Ijjaali, I.; Mitchell, K.; Huang Fuqiang; Ibers, J.A.","Syntheses and characterization of the actinide manganese selenides Th Mn Se3 and U Mn Se3","Journal of Solid State Chemistry","2004","177","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532578","3.931","","12.705","","9.148","","90","","90","","90","","456.882","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U (Mn Se3)","","- Mn Se3 U -","- Mn Se3 U -","- Mn4 Se12 U4 -","4","0.25","","Ijjaali, I.; Mitchell, K.; Huang Fuqiang; Ibers, J.A.","Syntheses and characterization of the actinide manganese selenides Th Mn Se3 and U Mn Se3","Journal of Solid State Chemistry","2004","177","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532728","13.168","","7.602","","9.337","","90","","90","","90","","934.663","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ho2 Rh3 Al9","","- Al9 Ho2 Rh3 -","- Al9 Ho2 Rh3 -","- Al36 Ho8 Rh12 -","4","0.25","","Niermann, J.; Jeitschko, W.; Fehrmann, B.; Wolff, M.W.","Preparation and crystal structure of ternary rare-earth platinum metal aluminides R2 T3 Al9 (T= Rh, Ir, Pd) with (Y2 Co3 Ga9)-type structure and magnetic properties of the iridium compounds","Journal of Solid State Chemistry","2004","177","","2600","2609","","","","","","","","","","","","","","","","","","","","","","has coordinates","158701","2020-10-21","18:00:00",""
"1532731","13.138","","7.585","","9.338","","90","","90","","90","","930.548","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er2 Ir3 Al9","","- Al9 Er2 Ir3 -","- Al9 Er2 Ir3 -","- Al36 Er8 Ir12 -","4","0.25","","Niermann, J.; Fehrmann, B.; Wolff, M.W.; Jeitschko, W.","Preparation and crystal structure of ternary rare-earth platinum metal aluminides R2 T3 Al9 (T= Rh, Ir, Pd) with (Y2 Co3 Ga9)-type structure and magnetic properties of the iridium compounds","Journal of Solid State Chemistry","2004","177","","2600","2609","","","","","","","","","","","","","","","","","","","","","","has coordinates","158705","2020-10-21","18:00:00",""
"1532841","4.4718","","11.2733","","4.0701","","90","","90","","90","","205.182","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr (Al0.5 Si0.5)","","- Al0.5 Pr Si0.5 -","- Al0.5 Pr Si0.5 -","- Al2 Pr4 Si2 -","4","0.25","","Lyaskovska, N.; Romaniv, O.; Gladyshevskii, E.I.; Semus'o, N.","Crystal structures of the compounds R Al0.5-x Si0.5+x (R = La, Ce, Pr, Nd, Sm, Gd), R3 Al4 Si6 (R = La, Pr) and R Al Si2 (R = Pr, Nd)","Journal of Alloys Compd.","2004","367","","180","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532896","3.9238","","12.632","","9.514","","90","","90","","90","","471.566","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Yb S3","","- La S3 Yb -","- La S3 Yb -","- La4 S12 Yb4 -","4","0.25","","Mitchell, K.; Huang Fuqiang; Somers, R.C.; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532898","4.0616","","13.094","","9.932","","90","","90","","90","","528.209","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Yb Se3","","- La Se3 Yb -","- La Se3 Yb -","- La4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Huang Fuqiang; Somers, R.C.; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532899","4.0234","","13.065","","9.885","","90","","90","","90","","519.612","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ce Yb Se3","","- Ce Se3 Yb -","- Ce Se3 Yb -","- Ce4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Somers, R.C.; Huang Fuqiang; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532901","4.0152","","13.053","","9.868","","90","","90","","90","","517.186","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr Yb Se3","","- Pr Se3 Yb -","- Pr Se3 Yb -","- Pr4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Somers, R.C.; Huang Fuqiang; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532902","4.0015","","13.047","","9.859","","90","","90","","90","","514.714","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd Yb Se3","","- Nd Se3 Yb -","- Nd Se3 Yb -","- Nd4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Somers, R.C.; Huang Fuqiang; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532904","3.978","","13.04","","9.86","","90","","90","","90","","511.469","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm Yb Se3","","- Se3 Sm Yb -","- Se3 Sm Yb -","- Se12 Sm4 Yb4 -","4","0.25","","Mitchell, K.; Huang Fuqiang; Somers, R.C.; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533018","3.99476","","10.2983","","5.7085","","90","","90","","90","","234.843","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y Al Si","","- Al Si Y -","- Al Si Y -","- Al4 Si4 Y4 -","4","0.25","","Pukas, S.; Lutsyshyn, Yu.; Manyako, M.; Gladyshevskii, E.I.","Crystal structures of the R Al Si and R Al Ge compounds","Journal of Alloys Compd.","2004","367","","162","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533199","9.655","","8.105","","8.456","","90","","90","","90","","661.714","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Rb2 (Mn F5 (H2 O))","","- F5 H2 Mn O Rb2 -","- F5 Mn O Rb2 -","- F20 Mn4 O4 Rb8 -","4","0.25","","Galicka, K.; Slodczyk, A.; Ratuszna, A.; Malecki, G.; Daniel, P.","Raman scattering and X-ray powder diffraction studies of hydrate layered perovskites: dirubidium aquapentafluoromanganate(III) and dipotassium aquapentafluoroferrate(III)","Materials Research Bulletin","2004","39","","1055","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533259","3.9475","","13.345","","13.668","","90","","90","","90","","720.022","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Y2 Cu S4","","- Cu K S4 Y2 -","- Cu K S4 Y2 -","- Cu4 K4 S16 Y8 -","4","0.25","","Yao, J.-Y.; Deng, B.; Ibers, J.A.; Ellis, D.E.","Syntheses, structures, physical properties and electronic structures of K Ln2 Cu S4 (Ln = Dy, Nd, Sm, Tb, Ho) and K2 Ln4 Cu4 S9 (Ln = Dy, Ho)","Journal of Solid State Chemistry","2003","176","","5","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533260","4.0577","","13.7442","","13.9265","","90","","90","","90","","776.679","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Nd2 Cu S4","","- Cu K Nd2 S4 -","- Cu K Nd2 S4 -","- Cu4 K4 Nd8 S16 -","4","0.25","","Yao, J.-Y.; Deng, B.; Ellis, D.E.; Ibers, J.A.","Syntheses, structures, physical properties and electronic structures of K Ln2 Cu S4 (Ln = Dy, Nd, Sm, Tb, Ho) and K2 Ln4 Cu4 S9 (Ln = Dy, Ho)","Journal of Solid State Chemistry","2003","176","","5","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533261","4.0218","","13.6074","","13.8264","","90","","90","","90","","756.667","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Sm2 Cu S4","","- Cu K S4 Sm2 -","- Cu K S4 Sm2 -","- Cu4 K4 S16 Sm8 -","4","0.25","","Yao, J.-Y.; Deng, B.; Ellis, D.E.; Ibers, J.A.","Syntheses, structures, physical properties and electronic structures of K Ln2 Cu S4 (Ln = Dy, Nd, Sm, Tb, Ho) and K2 Ln4 Cu4 S9 (Ln = Dy, Ho)","Journal of Solid State Chemistry","2003","176","","5","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533262","3.9679","","13.4243","","13.7102","","90","","90","","90","","730.291","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Tb2 Cu S4","","- Cu K S4 Tb2 -","- Cu K S4 Tb2 -","- Cu4 K4 S16 Tb8 -","4","0.25","","Yao, J.-Y.; Deng, B.; Ibers, J.A.; Ellis, D.E.","Syntheses, structures, physical properties and electronic structures of K Ln2 Cu S4 (Ln = Dy, Nd, Sm, Tb, Ho) and K2 Ln4 Cu4 S9 (Ln = Dy, Ho)","Journal of Solid State Chemistry","2003","176","","5","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533263","3.9378","","13.333","","13.6487","","90","","90","","90","","716.593","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Ho2 Cu S4","","- Cu Ho2 K S4 -","- Cu Ho2 K S4 -","- Cu4 Ho8 K4 S16 -","4","0.25","","Yao, J.-Y.; Ellis, D.E.; Deng, B.; Ibers, J.A.","Syntheses, structures, physical properties and electronic structures of K Ln2 Cu S4 (Ln = Dy, Nd, Sm, Tb, Ho) and K2 Ln4 Cu4 S9 (Ln = Dy, Ho)","Journal of Solid State Chemistry","2003","176","","5","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533274","3.094","","6.007","","5.246","","90","","90","","90","","97.5","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","","","- Ce -","- Ce -","- Ce4 -","4","0.25","","Zachariasen, W.H.","On the crystal structure of alpha-cerium","Journal of Applied Physics","1977","48","","1391","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533281","3.2928","","10.9445","","8.9103","","90","","90","","90","","321.11","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr3 Ni O0.38","","- Ni O0.38 Zr3 -","- Ni O0.38 Zr3 -","- Ni4 O1.52 Zr12 -","4","0.25","","Zavaliy, I.Yu.; Cerny, R.; Koval'chuk, I.V.; Saldan, I.V.","Hydrogenation of oxygen-stabilized Zr3 Ni Ox compounds","Journal of Alloys Compd.","2003","360","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533282","3.3117","","10.965","","8.8415","","90","","90","","90","","321.06","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr3 Ni O0.51","","- Ni O0.51 Zr3 -","- Ni O0.51 Zr3 -","- Ni4 O2.04 Zr12 -","4","0.25","","Zavaliy, I.Yu.; Cerny, R.; Saldan, I.V.; Koval'chuk, I.V.","Hydrogenation of oxygen-stabilized Zr3 Ni Ox compounds","Journal of Alloys Compd.","2003","360","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533283","3.3237","","10.969","","8.8002","","90","","90","","90","","320.835","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr3 Ni O0.79","","- Ni O0.79 Zr3 -","- Ni O0.79 Zr3 -","- Ni4 O3.16 Zr12 -","4","0.25","","Zavaliy, I.Yu.; Cerny, R.; Saldan, I.V.; Koval'chuk, I.V.","Hydrogenation of oxygen-stabilized Zr3 Ni Ox compounds","Journal of Alloys Compd.","2003","360","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533284","3.3335","","10.9689","","8.7686","","90","","90","","90","","320.622","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr3 Ni O1.17","","- Ni O1.17 Zr3 -","- Ni O1.17 Zr3 -","- Ni4 O4.68 Zr12 -","4","0.25","","Zavaliy, I.Yu.; Cerny, R.; Koval'chuk, I.V.; Saldan, I.V.","Hydrogenation of oxygen-stabilized Zr3 Ni Ox compounds","Journal of Alloys Compd.","2003","360","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533285","3.56646","","11.13389","","9.61969","","90","","90","","90","","381.984","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Zr3 Ni O0.627 D6.031","","- D6.031 Ni O0.627 Zr3 -","- D6.031 Ni O0.627 Zr3 -","- D24.124 Ni4 O2.508 Zr12 -","4","0.25","","Zavaliy, I.Yu.; Cerny, R.; Koval'chuk, I.V.; Saldan, I.V.","Hydrogenation of oxygen-stabilized Zr3 Ni Ox compounds","Journal of Alloys Compd.","2003","360","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533286","3.55153","","11.22912","","9.62122","","90","","90","","90","","383.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Zr3 Ni O0.896 D5.657","","- D5.657 Ni O0.896 Zr3 -","- D5.657 Ni O0.896 Zr3 -","- D22.628 Ni4 O3.584 Zr12 -","4","0.25","","Zavaliy, I.Yu.; Cerny, R.; Koval'chuk, I.V.; Saldan, I.V.","Hydrogenation of oxygen-stabilized Zr3 Ni Ox compounds","Journal of Alloys Compd.","2003","360","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533287","7.097","","10.659","","4.471","","90","","90","","90","","338.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er Cu Cd2","","- Cd2 Cu Er -","- Cd2 Cu Er -","- Cd8 Cu4 Er4 -","4","0.25","","Zelinska, O.Ya.; Pavlyuk, V.V.; Solokha, P.G.","New intermetallic compounds with the Er Cu Cd2 type of structure","Journal of Alloys Compd.","2004","367","","176","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533333","5.7676","","12.8246","","5.646","","90","","90","","90","","417.619","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Sr Bi O2 Br","","- Bi Br O2 Sr -","- Bi Br O2 Sr -","- Bi4 Br4 O8 Sr4 -","4","0.25","","Charkin, D.O.; Dolgikh, V.A.; Berdonosov, P.S.; Lightfoot, P.","A reinvestigation of quaternary layered bismuth oxyhalides of the Sillen X1 type","Journal of Solid State Chemistry","2003","175","","316","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533335","5.8723","","13.5344","","5.7363","","90","","90","","90","","455.91","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Sr Bi O2 I","","- Bi I O2 Sr -","- Bi I O2 Sr -","- Bi4 I4 O8 Sr4 -","4","0.25","","Charkin, D.O.; Berdonosov, P.S.; Lightfoot, P.; Dolgikh, V.A.","A reinvestigation of quaternary layered bismuth oxyhalides of the Sillen X1 type","Journal of Solid State Chemistry","2003","175","","316","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533337","6.0492","","14.0224","","5.8212","","90","","90","","90","","493.779","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba Bi O2 I","","- Ba Bi I O2 -","- Ba Bi I O2 -","- Ba4 Bi4 I4 O8 -","4","0.25","","Charkin, D.O.; Berdonosov, P.S.; Dolgikh, V.A.; Lightfoot, P.","A reinvestigation of quaternary layered bismuth oxyhalides of the Sillen X1 type","Journal of Solid State Chemistry","2003","175","","316","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533430","7.2857","","12.5588","","13.6186","","90","","90","","90","","1246.1","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Gd (Fe (C N)6) (H2 O)3.52","","- C6 H7.04 Fe Gd K N6 O3.52 -","- C6 Fe Gd K N6 O3.52 -","- C24 Fe4 Gd4 K4 N24 O14.08 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533433","7.2714","","12.5153","","13.5954","","90","","90","","90","","1237.23","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Tb (Fe (C N)6) (H2 O)3.48","","- C6 H6.96 Fe K N6 O3.48 Tb -","- C6 Fe K N6 O3.48 Tb -","- C24 Fe4 K4 N24 O13.92 Tb4 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533436","7.2583","","12.5089","","13.5474","","90","","90","","90","","1230.01","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Dy (Fe (C N)6) (H2 O)3.492","","- C6 H6.984 Dy Fe K N6 O3.492 -","- C6 Dy Fe K N6 O3.492 -","- C24 Dy4 Fe4 K4 N24 O13.968 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533439","7.2642","","12.5076","","13.5142","","90","","90","","90","","1227.87","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Ho (Fe (C N)6) (H2 O)3.54","","- C6 H7.08 Fe Ho K N6 O3.54 -","- C6 Fe Ho K N6 O3.54 -","- C24 Fe4 Ho4 K4 N24 O14.16 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533771","10.593","","7.3955","","7.4534","","90","","90","","90","","583.903","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 O (Re O6)","","- Gd3 O7 Re -","- Gd3 O7 Re -","- Gd12 O28 Re4 -","4","0.25","","Hinatsu, Y.; Kawabuchi, N.; Wakeshima, M.; Taira, N.","Structures and magnetic properties of rare earth rhenium oxides Ln3 Re O7 (Ln = Gd, Tb and Dy)","Journal of Alloys Compd.","2004","374","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533774","10.51","","7.364","","7.414","","90","","90","","90","","573.811","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb3 O (Re O6)","","- O7 Re Tb3 -","- O7 Re Tb3 -","- O28 Re4 Tb12 -","4","0.25","","Hinatsu, Y.; Taira, N.; Wakeshima, M.; Kawabuchi, N.","Structures and magnetic properties of rare earth rhenium oxides Ln3 Re O7 (Ln = Gd, Tb and Dy)","Journal of Alloys Compd.","2004","374","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533784","4.0413","","17.73","","4.0675","","90","","90","","90","","291.446","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Rh2 Si -","- Ce Rh2 Si -","- Ce4 Rh8 Si4 -","4","0.25","","Tursina, A.I.; Bodak, O.I.; Gribanov, A.V.; Seropegin, Yu.D.; Novitskii, A.A.","Crystal structure of the ternary silicide Ce Rh2 Si","Journal of Alloys Compd.","2004","367","","146","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533833","2.77","","8.183","","3.306","","90","","90","","90","","74.937","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga0.9 In0.1 -","- Ga0.9 In0.1 -","- Ga3.6 In0.4 -","4","0.25","","Szymanski, D.; Barrick, J.C.; Giessen, B.C.","The cyrstal structure of a metastable binary phase related to beta-Ga: beta'-Ga(In)","Journal of Solid State Chemistry","1979","30","","55","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533855","3.4708","","8.4437","","6.6083","","90","","90","","90","","193.665","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pd (Ni0.95 Pd0.05)2 P","","- Ni1.9 P Pd1.1 -","- Ni1.896 P Pd1.104 -","- Ni7.584 P4 Pd4.416 -","4","0.25","","Vennstrom, M.; Howing, J.; Gustafsson, T.; Andersson, Y.","The crystal structures of Pd Ni2 P and Pd8 Ni31 P16","Journal of Solid State Chemistry","2004","177","","1449","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533966","18.112","","20.475","","7.523","","90","","90","","90","","2789.85","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Na7.45 (Al7.76 Si40.24 O96) (H2 O)32","","- Al7.76 H64 Na7.45 O128 Si40.24 -","- Al7.752 Na7.4504 O128 Si40.248 -","- Al7.752 Na7.4504 O128 Si40.248 -","1","0.0625","","Kato, M.; Itabashi, K.; Matsumoto, A.; Tsutsumi, K.","Characteristics of MOR-framework zeolites synthesized in fluoride-containing media and related ordered distribution of Al atoms in the framework","J. Phys. Chem. B","2003","107","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533968","18.108","","20.428","","7.504","","90","","90","","90","","2775.81","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Na5.33 (Al5.55 Si42.45 O96) (H2 O)32","","- Al5.55 H64 Na5.33 O128 Si42.45 -","- Al5.496 Na5.3304 O128 Si42.504 -","- Al5.496 Na5.3304 O128 Si42.504 -","1","0.0625","","Kato, M.; Itabashi, K.; Tsutsumi, K.; Matsumoto, A.","Characteristics of MOR-framework zeolites synthesized in fluoride-containing media and related ordered distribution of Al atoms in the framework","J. Phys. Chem. B","2003","107","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533970","18.108","","20.428","","7.504","","90","","90","","90","","2775.81","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Na4.67 (Al4.96 Si43.04 O96) (H2 O)32","","- Al4.96 H64 Na4.67 O128 Si43.04 -","- Al4.96 Na4.6704 O128 Si43.04 -","- Al4.96 Na4.6704 O128 Si43.04 -","1","0.0625","","Kato, M.; Itabashi, K.; Matsumoto, A.; Tsutsumi, K.","Characteristics of MOR-framework zeolites synthesized in fluoride-containing media and related ordered distribution of Al atoms in the framework","J. Phys. Chem. B","2003","107","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533985","3.7816","","13.566","","16.207","","90","","90","","90","","831.438","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na (Cu Hf2 Se5)","","- Cu Hf2 Na Se5 -","- Cu Hf2 Na Se5 -","- Cu4 Hf8 Na4 Se20 -","4","0.25","","Kolb, A.; Klepp, K.O.","Quaternary chalcogenides of the IVa metals with layered structures:preparation and crystal structure of Na Cu Hf2 Se5","Solid State Sciences","2003","5","","1027","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534001","3.8307","","10.543","","4.369","","90","","90","","90","","176.451","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Pr Ni","","- Ni Pr -","- Ni Pr -","- Ni4 Pr4 -","4","0.25","","Pecharsky, A.O.; Mozharivsky, Yu.; Dennis, K.W.; Miller, G.J.; McCallum, R.W.; Pecharskii, V.K.; Gschneidner, K.A.jr.","Preparation, crystal structure, heat capacity, magnetism and the magnetocaloric effect of Pr5 Ni1.9 Si3 and Pr Ni","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2003","68","","134452-1","134452-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534004","4.029","","16.286","","3.967","","90","","90","","90","","260.3","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb Co Si2","","- Co Si2 Tb -","- Co Si2 Tb -","- Co4 Si8 Tb4 -","4","0.25","","Penc, B.; Szytula, A.; Wawrzynska, E.; Hernandez-Velasco, J.","Magnetic structures and magnetic phase transitions in Tb Co Si2","Journal of Alloys Compd.","2004","366","","120","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534005","4.378","","16.103","","4.312","","90","","90","","90","","303.991","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er Co0.24 Sn2","","- Co0.24 Er Sn2 -","- Co0.24 Er Sn2 -","- Co0.96 Er4 Sn8 -","4","0.25","","Penc, B.; Gil, A.; Wawrzynska, E.; Szytula, A.; Zygmunt, A.; Hernandez-Velasco, J.","Magnetic structure of Er Tx Sn2 (T = Co, Ni) compounds","Journal of Alloys Compd.","2004","375","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534007","4.374","","16.121","","4.306","","90","","90","","90","","303.63","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Er Ni0.15 Sn2 -","- Er Ni0.15 Sn2 -","- Er4 Ni0.6 Sn8 -","4","0.25","","Penc, B.; Hernandez-Velasco, J.; Wawrzynska, E.; Gil, A.; Szytula, A.; Zygmunt, A.","Magnetic structure of Er Tx Sn2 (T = Co, Ni) compounds","Journal of Alloys Compd.","2004","375","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534291","3.128","","10.14","","7.699","","90","","90","","90","","244.196","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","V3 As C","","- C As V3 -","- C As V3 -","- C4 As4 V12 -","4","0.25","","Boller, H.; Nowotny, H.","Zum Dreistoff: Vanadin-Arsen-Kohlenstoff","Monatshefte fuer Chemie (-108,1977)","1967","98","","2127","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534341","6.244","","13.67","","6.491","","90","","90","","90","","554.042","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Sb F5)","","- F5 K2 Sb -","- F5 K2 Sb -","- F20 K8 Sb4 -","4","0.25","","Bystroem, A.; Wilhelmi, K.A.","The crystal structure of K2 Sb F5 and isomorphous compounds","Arkiv foer Kemi","1951","3","","461","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534383","10.445","","8.7","","10.445","","90","","90","","90","","949.153","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(Co (N H3)5 (N O)) Cl2","","- Cl2 Co H15 N6 O -","- Cl2 Co H18 N6 O -","- Cl8 Co4 H72 N24 O4 -","4","0.25","","Dale, D.H.; Crowfoot-Hodgkin, D.","The crystal structure of black nitrosylpentamminecobalt dichloride","Journal of the Chemical Society","1965","1965","","1364","1371","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534986","3.816","","11.815","","8.507","","90","","90","","90","","383.547","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Dy Cl3","","- Cl3 Dy -","- Cl3 Dy -","- Cl12 Dy4 -","4","0.25","","Hake, D.; Urland, W.","Darstellung und Kristallstruktur von Ln Al3 Cl12 (Ln= Tb, Dy, Ho) und thermischer Abbau zu Ln Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","99","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535182","3.34554","","11.16684","","13.49639","","90","","90","","90","","504.213","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca2 Tl2 O5","","- Ca2 O5 Tl2 -","- Ca2 O5 Tl2 -","- Ca8 O20 Tl8 -","4","0.25","","Berastegui, P.; Eriksson, S.; Hull, S.; Eriksen, J.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162409","2020-10-21","18:00:00",""
"1535220","4.1248","","14.6807","","17.3483","","90","","90","","90","","1050.53","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Dy2 Se5 -","- Cs Cu3 Dy2 Se5 -","- Cs4 Cu12 Dy8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535223","4.1031","","14.6678","","17.2317","","90","","90","","90","","1037.06","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Er2 Se5 -","- Cs Cu3 Er2 Se5 -","- Cs4 Cu12 Er8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535225","4.1529","","14.6934","","17.4842","","90","","90","","90","","1066.89","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Gd2 Se5 -","- Cs Cu3 Gd2 Se5 -","- Cs4 Cu12 Gd8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535226","4.1156","","14.6743","","17.2895","","90","","90","","90","","1044.17","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Ho2 Se5 -","- Cs Cu3 Ho2 Se5 -","- Cs4 Cu12 Ho8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535228","4.0763","","14.6486","","17.0721","","90","","90","","90","","1019.41","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Lu2 Se5 -","- Cs Cu3 Lu2 Se5 -","- Cs4 Cu12 Lu8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535232","4.1784","","14.7091","","17.6478","","90","","90","","90","","1084.64","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Sm2 Se5","","- Cs Cu3 Se5 Sm2 -","- Cs Cu3 Se5 Sm2 -","- Cs4 Cu12 Se20 Sm8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535236","4.1372","","14.6875","","17.413","","90","","90","","90","","1058.1","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Tb2 Se5","","- Cs Cu3 Se5 Tb2 -","- Cs Cu3 Se5 Tb2 -","- Cs4 Cu12 Se20 Tb8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535238","4.094","","14.6619","","17.1756","","90","","90","","90","","1030.98","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Tm2 Se5","","- Cs Cu3 Se5 Tm2 -","- Cs Cu3 Se5 Tm2 -","- Cs4 Cu12 Se20 Tm8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535239","4.0857","","14.6552","","17.1204","","90","","90","","90","","1025.11","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Yb2 Se5","","- Cs Cu3 Se5 Yb2 -","- Cs Cu3 Se5 Yb2 -","- Cs4 Cu12 Se20 Yb8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535262","10.1601","","19.8834","","7.4362","","90","","90","","90","","1502.24","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(N H4)3 ((Ta2 (N H)3 Cl6) Cl)","","- Cl7 H15 N6 Ta2 -","- Cl7 H15 N6 Ta2 -","- Cl28 H60 N24 Ta8 -","4","0.25","","Subramanya Herle, P.; Straehle, J.","Synthesis and structure of a new compound (N H4)3 ((Ta2 (N H)3 Cl6) Cl), with a novel imido-bridged chain: (1-infty)(Ta2 (N H)3 Cl6)(2-)","Solid State Sciences","2003","5","","183","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535273","3.2647","","28.71","","3.1285","","90","","90","","90","","293.233","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb3 B3 C","","- C B3 Nb3 -","- C B3 Nb3 -","- C4 B12 Nb12 -","4","0.25","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535277","3.2287","","37.544","","3.1331","","90","","90","","90","","379.789","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb4 B3 C2","","- C2 B3 Nb4 -","- C2 B3 Nb4 -","- C8 B12 Nb16 -","4","0.25","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","162568","2020-10-21","18:00:00",""
"1535349","7.267","","17.282","","11.074","","90","","90","","90","","1390.77","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs3 Na Pb4 -","- Cs3 Na Pb4 -","- Cs12 Na4 Pb16 -","4","0.25","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535350","4.3152","","10.42","","7.3","","90","","90","","90","","328.24","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y Ni In2","","- In2 Ni Y -","- In2 Ni Y -","- In8 Ni4 Y4 -","4","0.25","","Hlukhyy, V.; Zaremba, V.I.; Kal'ichak, Ya.M.; Poettgen, R.","Synthesis and structures of Y Ni In2 and Y4 Ni11 In20","Journal of Solid State Chemistry","2004","177","","1359","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535396","4.0969","","10.5932","","13.2753","","90","","90","","90","","576.138","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm3 Ir2 Si2","","- Ir2 Si2 Sm3 -","- Ir2 Si2 Sm3 -","- Ir8 Si8 Sm12 -","4","0.25","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2, Ho Ir Si and Yb Ir Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1787","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","162733","2020-10-21","18:00:00",""
"1535434","3.9021","","12.9925","","10.8808","","90","","90","","90","","551.635","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ir Ga2","","- Ga2 Ir -","- Ga2 Ir -","- Ga24 Ir12 -","12","0.75","","Bostroem, M.; Prots', Yu.M.; Grin', Yu.","Synthesis, crystal structure and chemical bonding of the novel compound Ir Ga2","Solid State Sciences","2004","6","","499","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535468","8.0688","","22.321","","7.0597","","90","","90","","90","","1271.48","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na8 (Co O3) (S O4)2","","- Co Na8 O11 S2 -","- Co Na8 O11 S2 -","- Co4 Na32 O44 S8 -","4","0.25","","Moeller, A.; Freimuth, A.; Sobotka, B.M.; Baier, J.","Ein Natrium-Oxocobaltat(II)-Sulfat: Na8 (Co O3) (S O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2705","2708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535492","7.5835","","7.6807","","7.6235","","90","","90","","90","","444.043","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Cl (H2 O)","","- Cl H2 Li O -","- Cl H2 Li O -","- Cl8 H16 Li8 O8 -","8","0.5","","Hoennerscheid, A.; Nuss, J.; Muehle, C.; Jansen, M.","Die Kristallstrukturen der Monohydrate von Lithiumchlorid und Lithiumbromid","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","312","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535496","8.0615","","7.9944","","7.9461","","90","","90","","90","","512.101","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Br (H2 O)","","- Br H2 Li O -","- Br H2 Li O -","- Br8 H16 Li8 O8 -","8","0.5","","Hoennerscheid, A.; Jansen, M.; Nuss, J.; Muehle, C.","Die Kristallstrukturen der Monohydrate von Lithiumchlorid und Lithiumbromid","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","312","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535542","3.642","","11.716","","11.494","","90","","90","","90","","490.445","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Ni5 P3 -","- La Ni5 P3 -","- La4 Ni20 P12 -","4","0.25","","Hofmann, W.K.; Jeitschko, W.","Structural investigations of ternary lanthanoid and uranium nickel phosphides","Journal of Solid State Chemistry","1984","51","","152","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535557","13.925","","7.142","","7.042","","90","","90","","90","","700.343","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Th3 Ni4.96 C4.79","","- C4.79 Ni4.96 Th3 -","- C4.79 Ni4.956 Th3 -","- C19.16 Ni19.824 Th12 -","4","0.25","","Moss, M.A.; Jeitschko, W.","Kristallstrukturen und Eigenschaften der Thorium-NickelCarbide Th3 Ni5 C5 und Th2 Ni C2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","603","","57","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","162967","2020-10-21","18:00:00",""
"1535656","7.515","","17.319","","8.199","","90","","90","","90","","1067.12","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Cs2 (Mo (N O) Cl4 (H2 O))","","- Cl4 Cs2 H2 Mo N O2 -","- Cl4 Cs2 Mo N O2 -","- Cl16 Cs8 Mo4 N4 O8 -","4","0.25","","Mueller, A.; Eltzner, W.; Subramanian, P.; Sarkar, S.; Mohan, N.; Seyer, U.; Boegge, H.; Aymonino, P.J.","Darstellung, Redox-Verhalten und Strukturen einkerniger ""einfacher"" Mono- und Dinitrosyl-Komplexe des Molybdaens mit Hydroxylamido(-1)-, Oximato-, Halogeno- und Pseudohalogeno-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","503","","22","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535739","4.256","","24.993","","4.258","","90","","90","","90","","452.924","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd1 Se1 Te2","","- Nd Se Te2 -","- Nd Se Te2 -","- Nd4 Se4 Te8 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535743","3.8012","","21.17","","6.44","","90","","90","","90","","518.236","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U (Nb2 O7)","","- Nb2 O7 U -","- Nb2 O7 U -","- Nb8 O28 U4 -","4","0.25","","Busch, J.; Gruehn, R.","Chemischer Transport und Struktur von UNb2O7 - einem neien MM'2O7-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1066","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535750","4.261","","25.23","","4.262","","90","","90","","90","","458.186","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Se Te2 -","- Ce0.9989 Se0.9989 Te2 -","- Ce3.9956 Se3.9956 Te8 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535754","4.262","","25.034","","4.272","","90","","90","","90","","455.801","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr1 Se1 Te2","","- Pr Se Te2 -","- Pr Se Te1.994 -","- Pr4 Se4 Te7.976 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535836","6.264","","13.697","","6.51","","90","","90","","90","","558.545","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Sb F5)","","- F5 K2 Sb -","- F5 K2 Sb -","- F20 K8 Sb4 -","4","0.25","","Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.","X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.","Kristallografiya","1992","37","","735","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536079","6.695","","14.6404","","7.1709","","90","","90","","90","","702.874","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs2 (Te O F4)","","- Cs2 F4 O Te -","- Cs2 F4 O Te -","- Cs8 F16 O4 Te4 -","4","0.25","","Jansen, M.; Kessler, U.","Kristallstruktur von Caesiumtetrafluorooxotellurat(IV) Cs2TeOF4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","151","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536111","2.876","","12.24","","3.709","","90","","90","","90","","130.565","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Al O (O H)0.326 (O D)0.674","","- Al D0.674 H0.326 O2 -","- Al D0.674 H0.326 O2 -","- Al4 D2.696 H1.304 O8 -","4","0.25","","Norlund Christensen, A.; Lehmann, M.S.; Convert, P.","Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-Al O O (H,D) and gamma-Fe O O (H,D)","Acta Chemica Scandinavica, Series A: (28,1974-)","1982","36","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536118","3.07","","12.53","","3.876","","90","","90","","90","","149.098","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Al O (O H)0.036 (O D)0.964","","- Al D0.964 H0.036 O2 -","- Al D0.964 H0.036 O2 -","- Al4 D3.856 H0.144 O8 -","4","0.25","","Norlund Christensen, A.; Lehmann, M.S.; Convert, P.","Deuteration of crystalline hydroxides. hydrogen bonds of gamma-Al O O (H, D) and gamma-Fe O O (H, D)","Acta Chemica Scandinavica, Series A: (28,1974-)","1982","36","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536153","7.0243","","6.4578","","7.046","","90","","90","","90","","319.617","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na Ga H4","","- Ga H4 Na -","- Ga H4 Na -","- Ga4 H16 Na4 -","4","0.25","","Nozik, Yu.Z.; Kuklina, E.S.; Bliznyuk, N.A.; Borisov, S.V.","Crystal structure of sodium tetrahydro(deuterio) gallate (T=80 K)","Kristallografiya","1991","36","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536236","4.978","","5.0095","","15.67","","90","","90","","90","","390.767","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Lu3 B C3","","- C3 B Lu3 -","- C3 B Lu3 -","- C12 B4 Lu12 -","4","0.25","","Oeckler, O.; Jardin, C.; Mattausch, H.J.; Bauer, J.; Simon, A.; Halet, J.F.; Saillard, J.Y.","Synthesis, characterization, structural and theoretical analysis of a new rare-earth boride carbide: Lu3 B C3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1389","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536249","4.177","","31.377","","8.581","","90","","90","","90","","1124.64","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr4 Pd5 P5","","- P5 Pd5 Sr4 -","- P5 Pd5 Sr4 -","- P20 Pd20 Sr16 -","4","0.25","","Johrendt, D.; Mewis, A.","Strukturen aus AlB2- und BaAl4-analogen Einheiten. I: Die Verbindungen Sr4Pd5P5 und Sr2Pd3P3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","607","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","163893","2020-10-21","18:00:00",""
"1536279","10.505","","13.147","","6.072","","90","","90","","90","","838.599","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs Cu2 I3 -","- Cs Cu2 I3 -","- Cs4 Cu8 I12 -","4","0.25","","Jouini, N.; Guen, L.; Tournoux, M.","Structure cristalline de Cs Cu2 I3","Revue de Chimie Minerale","1980","17","","486","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536285","7.7667","","11.3513","","10.1368","","90","","90","","90","","893.682","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu (N (C N)2)3","","- C6 Eu N9 -","- C6 Eu N9 -","- C24 Eu4 N36 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536287","7.813","","11.3864","","10.1204","","90","","90","","90","","900.33","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm (N (C N)2)3","","- C6 N9 Sm -","- C6 N9 Sm -","- C24 N36 Sm4 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536290","7.87787","","11.4459","","10.1554","","90","","90","","90","","915.705","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd (N (C N)2)3","","- C6 N9 Nd -","- C6 N9 Nd -","- C24 N36 Nd4 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536293","7.9045","","11.4619","","10.1674","","90","","90","","90","","921.172","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr (N (C N)2)3","","- C6 N9 Pr -","- C6 N9 Pr -","- C24 N36 Pr4 -","4","0.25","","Juergens, B.; Schnick, W.; Irran, E.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536296","7.94935","","11.5215","","10.2096","","90","","90","","90","","935.081","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ce (N (C N)2)3","","- C6 Ce N9 -","- C6 Ce N9 -","- C24 Ce4 N36 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536299","7.9988","","11.5822","","10.2668","","90","","90","","90","","951.154","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La (N (C N)2)3","","- C6 La N9 -","- C6 La N9 -","- C24 La4 N36 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536336","3.7781","","11.5642","","8.8796","","90","","90","","90","","387.956","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr6 S1.09 Te2","","- S1.09 Te2 Zr6 -","- S1.09 Te2 Zr6 -","- S2.18 Te4 Zr12 -","2","0.125","","Orlygsson, G.; Conrad, M.; Harbrecht, B.","Zr6 S Te2 - ein zirconiumreiches Sulfidtellurid mit einer (Zr3 Te)-Teilstruktur von (Re3 B)-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","164010","2020-10-21","18:00:00",""
"1536338","5.7615","","9.9792","","24.347","","90","","90","","90","","1399.83","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba5 Fe5 O14 -","- Ba5 Fe5 O14 -","- Ba20 Fe20 O56 -","4","0.25","","Delattre, J.L.; Stacy, A.M.; Siegrist, T.","Structure of ten-layer orthorhombic Ba5 Fe5 O14 (Ba Fe O2.8) determined from single crystal x-ray diffraction","Journal of Solid State Chemistry","2004","177","","928","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536342","2.831","","5.175","","10.66","","90","","90","","90","","156.174","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K0.51 Mn0.94 O2 -","- K0.51 Mn0.94 O2 -","- K2.04 Mn3.76 O8 -","4","0.25","","Delmas, C.; Fouassier, C.","Les phases Kx Mn O2, (x< 1)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","420","","184","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536387","4.482","","16.895","","7.221","","90","","90","","90","","546.799","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Ni In4","","- In4 La Ni -","- In4 La Ni -","- In16 La4 Ni4 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536486","4.309","","25.481","","4.321","","90","","90","","90","","474.436","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Se Te2 -","- La Se Te2 -","- La4 Se4 Te8 -","4","0.25","","Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T.","La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound","Chemistry - A European Journal","2003","9","","5865","5872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536503","6.3002","","13.9886","","6.517","","90","","90","","90","","574.35","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K2 (Te O F4)","","- F4 K2 O Te -","- F4 K2 O Te -","- F16 K8 O4 Te4 -","4","0.25","","Kessler, U.; Paulmann, C.; Friese, K.; Jansen, M.","The commensurately modulated structure of K2 Te O F4","Solid State Sciences","2003","5","","249","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536554","7.433","","12.875","","13.73","","90","","90","","90","","1313.96","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Sm Fe (C N)6 (H2 O)4","","- C6 H8 Fe N6 O4 Sm -","- C6 Fe N6 O4 Sm -","- C24 Fe4 N24 O16 Sm4 -","4","0.25","","Petter, W.; Gramlich, V.; Hulliger, F.","The structure of Sm Fe (C N)6 * 4(H2 O) and the problem of pseudo-hexagonal symmetry","Journal of Solid State Chemistry","1989","82","","161","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536958","5.899","","10.238","","5.086","","90","","90","","90","","307.164","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs Cu O -","- Cs Cu O -","- Cs4 Cu4 O4 -","4","0.25","","Fischer, D.; Carl, W.; Glaum, H.; Hoppe, R.","Zur Struktur der K Ag O-Verwandschaft. Neubestimmung an A Ag O= A4 (Ag4 O4) (A= Na-Rb) mit einer Bemerkung zu Cs Cu O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","585","","75","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536986","4.445","","16.55","","7.516","","90","","90","","90","","552.913","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yb Pt In4","","- In4 Pt Yb -","- In4 Pt Yb -","- In16 Pt4 Yb4 -","4","0.25","","Zaremba, V.I.; Kal'ichak, Ya.M.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.","The Indium-Rich Intermetallics YbCoIn5, YbRhIn5, and YbPtIn4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1157","1161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537001","4.3067","","10.33","","7.581","","90","","90","","90","","337.265","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yb Ni In2","","- In2 Ni Yb -","- In2 Ni Yb -","- In8 Ni4 Yb4 -","4","0.25","","Zaremba, V.I.; Muts, I.R.; Poettgen, R.; Rodewald, U.C.; Hlukhyy, V.","Syntheses and structures of RE10 Ni(9+x) In20 (RE = Tb, Dy) and Yb Ni In2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1903","1907","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537003","4.334","","18.03","","29.83","","90","","90","","90","","2330.98","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd Ni In2","","- Gd In2 Ni -","- Gd In2 Ni -","- Gd28 In56 Ni28 -","28","1.75","","Zaremba, V.I.; Hlukhyy, V.; Poettgen, R.","The high-temperature modification of Gd Ni In2 - an intergrowth structure of Mg Cu Al2 related slabs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","327","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537054","4.265","","10.191","","13.989","","90","","90","","90","","608.026","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Lu3 Ir2 Ge3","","- Ge3 Ir2 Lu3 -","- Ge3 Ir2 Lu3 -","- Ge12 Ir8 Lu12 -","4","0.25","","Rodewald, U.C.; Poettgen, R.","Three-dimensional iridium-germanium polyanions in the structures of Yb2 Ir Ge2, Lu Ir Ge2 and Lu3 Ir2 Ge3","Solid State Sciences","2003","5","","487","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","165030","2020-10-21","18:00:00",""
"1537057","4.261","","25.06","","4.26","","90","","90","","90","","454.886","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Pr Se Te2 -","- Pr Se Te2 -","- Pr4 Se4 Te8 -","4","0.25","","Fokwa, B.P.T.; Soehnel, T.; Simon, P.; Doert, T.; Boettcher, P.","Pr Se Te2, ein geordnetes ternaeres Polychalkogenid mit (Nd Te3) - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2612","2616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537169","3.821","","15.591","","2.973","","90","","90","","90","","177.111","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K1.33333 Li1.3333 Ti3.3333 O8","","- K1.33333 Li1.3333 O8 Ti3.3333 -","- K1.3332 Li1.3332 O8 Ti3.3332 -","- K1.3332 Li1.3332 O8 Ti3.3332 -","1","0.0625","","Roth, R.S.; Parker, H.S.; Brower, W.S.","Crystal chemistry of lithium in octahedrally coordinated structures III. A new structure-type in the system K2O:Li2O:TiO2 (KxLixTi4-x/2O8)","Materials Research Bulletin","1973","8","","327","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","165192","2020-10-21","18:00:00",""
"1537172","11.154","","9.053","","11.38","","90","","90","","90","","1149.12","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba3 Pb5 -","- Ba3 Pb5 -","- Ba12 Pb20 -","4","0.25","","Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Angewandte Chemie (Edition international)","1995","34","","2703","2705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537176","10.995","","8.987","","11.176","","90","","90","","90","","1104.32","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba3 Sn5 -","- Ba3 Sn5 -","- Ba12 Sn20 -","4","0.25","","Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Angewandte Chemie (Edition international)","1995","34","","2703","2705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537180","10.61","","8.557","","10.892","","90","","90","","90","","988.882","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Sr3 Sn5","","- Sn5 Sr3 -","- Sn5 Sr3 -","- Sn20 Sr12 -","4","0.25","","Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Angewandte Chemie (Edition international)","1995","34","","2703","2705","","","","","","","","","","","","","","","","","","","","","","has coordinates","165203","2020-10-21","18:00:00",""
"1537195","10.652","","8.743","","10.761","","90","","90","","90","","1002.18","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba3 Ge2.82 Sn2.18 -","- Ba3 Ge2.817 Sn2.183 -","- Ba12 Ge11.268 Sn8.732 -","4","0.25","","Zuercher, F.; Hoffmann, S.; Nesper, R.; Faessler, T.F.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2211","2219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537244","3.969","","12.786","","8.597","","90","","90","","90","","436.277","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cu Bi S Cl2","","- Bi Cl2 Cu S -","- Bi Cl2 Cu S -","- Bi4 Cl8 Cu4 S4 -","4","0.25","","Ruck, M.; Poudeu Poudeu, P.F.; Soehnel, T.","Synthese, Kristallstruktur und elektronische Bandstruktur der isotypen Sulfidchloride Cu Bi S Cl2 und Ag Bi S Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","63","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537316","5.568","","8.208","","5.977","","90","","90","","90","","273.162","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cr (V O4)","","- Cr O4 V -","- Cr O4 V -","- Cr4 O16 V4 -","4","0.25","","Frazer, B.C.; Brown, P.J.","Antiferromagnetic structure of Cr V O4 and the anhydrous sulfates of divalent Fe, Ni, and Co","Physical Review, Section A (133,1964-188,1969)","1962","125","","1283","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537319","5.406","","8.095","","6.351","","90","","90","","90","","277.93","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni (Se O4)","","- Ni O4 Se -","- Ni O4 Se -","- Ni4 O16 Se4 -","4","0.25","","Fuess, H.; Will, G.","Bestimmung der Kristallstruktur der Selenate M Se O4 (M = Mn, Co, Ni) durch Roentgen- und Neutronenbeugung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","358","","125","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537517","3.888","","14.082","","3.734","","90","","90","","90","","204.44","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo O2.5 (O H).5","","- H0.5 Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.25","","Kihlborg, L.; Roennquist, A.; Haegerstroem, G.","On Molybdenum Oxide Hydroxides Genotypic with Mo O3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1961","15","","1187","1188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538162","4.474","","11.098","","4.064","","90","","90","","90","","201.788","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge Pr -","- Ge Pr -","- Ge4 Pr4 -","4","0.25","","Iandelli, A.","Covalent bonding in intermetallic compounds I. The compounds Pr Ge and Ca Ge","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1955","19","","307","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538318","16.1","","13.767","","6.735","","90","","90","","90","","1492.8","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Mg3 Al6 (Si.8 Al.2)5 O21 (O H)","","- Al7 H Mg3 O22 Si4 -","- Al7 Mg3 O22 Si4 -","- Al28 Mg12 O88 Si16 -","4","0.25","","Moore, P.B.; Bennett, J.M.","Kornerupine: Its Crystal Structure","Science","1968","159","","524","526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538421","3.06","","12.51","","3.87","","90","","90","","90","","148.146","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Fe O (O H)","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.25","","Oles, A.; Szytula, A.; Wanic, A.","Neutron diffraction study of gamma-Fe O O H","Physica Status Solidi","1970","41","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538474","12.847","","12.901","","10.476","","90","","90","","90","","1736.28","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na4 (Ge4 S10)","","- Ge4 Na4 S10 -","- Ge4 Na4 S10 -","- Ge16 Na16 S40 -","4","0.25","","Philippot, E.; Ribes, M.; Lindqvist, O.","Structure cristalline de Na4 Ge4 S10","Revue de Chimie Minerale","1971","8","","477","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","167045","2020-10-21","18:00:00",""
"1538523","5.267","","8.046","","6.848","","90","","90","","90","","290.206","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mn S O4","","- Mn O4 S -","- Mn O4 S -","- Mn4 O16 S4 -","4","0.25","","Rentzeperis, P.J.","Die Kristallstruktur von wasserfreiem Mn S O4, und Bemerkungen zur Struktur der beiden Co S O4-Modifikationen","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1958","1958","","210","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538529","4.83","","11.33","","4.04","","90","","90","","90","","221.085","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Sr Si","","- Si Sr -","- Si Sr -","- Si4 Sr4 -","4","0.25","","Rocktaeschel, G.; Weiss, A.","Zur Kenntnis der Strontiumsilicide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1962","316","","231","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538530","3.145","","9.855","","7.293","","90","","90","","90","","226.039","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Rodi, F.; Babel, D.","Erdalkaliiridium(IV) - oxide: Kristallstruktur von Ca Ir O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","336","","17","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538562","8.726","","11.151","","5.445","","90","","90","","90","","529.818","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Li2 (N H2)3","","- Cs H6 Li2 N3 -","- Cs H6 Li2 N3 -","- Cs4 H24 Li8 N12 -","4","0.25","","Jacobs, H.; Schardey, A.; Harbrecht, B.","Neue ternaere Alkalimetallhydroxide, M Li2 (O H)3 mit M = K, Rb, Cs sowie ein Caesiumdilithiumamid, Cs Li2 (N H2)3 - Strukturverwandtschaft zum Ba Ni O3 - Typ und zu Li O H","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","43","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538622","4.398","","16.606","","7.278","","90","","90","","90","","531.536","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- In4 Ni Yb -","- In4 Ni Yb -","- In16 Ni4 Yb4 -","4","0.25","","Kalychak, Ya.M.; Baranyak, V.M.; Dmytrakh, O.V.; Zavalii, P.Yu.; Zaremba, V.I.; Bruskov, V.A.","Crystal structure of the compounds REM Ni Ni4 (REM= Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er)","Soviet Physics, Crystallography (= Kristallografiya)","1988","33","","602","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538646","3.672","","14.57","","3.641","","90","","90","","90","","194.797","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Hf Si2 -","- Hf Si2 -","- Hf4 Si8 -","4","0.25","","Karpinskii, O.G.; Evseev, B.A.","X-ray investigation of the Hf-Si system from 37 to 65 at.% Si","Russian Metallurgy","1969","1969","","128","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539231","3.9958","","16.4041","","3.9636","","90","","90","","90","","259.804","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni Tb Si2","","- Ni Si2 Tb -","- Ni Si2 Tb -","- Ni4 Si8 Tb4 -","4","0.25","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","Uniaxial antiferromagnetic ordering in Tb Ni Si2","Journal of the Less-Common Metals","1991","171","","321","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539234","4.28","","10.6712","","3.9193","","90","","90","","90","","179.005","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tb Ge","","- Ge Tb -","- Ge Tb -","- Ge4 Tb4 -","4","0.25","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","A neutron diffraction and magnetic study of the first-order phase transition in Tb Ge1-x Six (0 <= x <= 0.4)","Journal of Magnetism and Magnetic Materials","1986","62","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539236","4.28","","10.6712","","7.8385","","90","","90","","90","","358.006","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tb Ge","","- Ge Tb -","- Ge Tb -","- Ge4 Tb4 -","4","0.25","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","A neutron diffraction and magnetic study of the first-order phase transition in Tb Ge1-x Six (0 <= x <= 0.4)","Journal of Magnetism and Magnetic Materials","1986","62","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539241","8.5729","","10.6801","","7.8468","","90","","90","","90","","718.449","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tb Ge","","- Ge Tb -","- Ge Tb -","- Ge4 Tb4 -","4","0.25","","Schobinger-Papamantellos, P.; Buschow, K.H.J.","A neutron diffraction and magnetic study of the first-order phase transition in Tb Ge1-x Six (0 <= x <= 0.4)","Journal of Magnetism and Magnetic Materials","1986","62","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539579","5.049","","11.197","","14.788","","90","","90","","90","","836.02","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- K4 P3 -","- K4 P3 -","- K16 P12 -","4","0.25","","von Schnering, H.G.; Hartweg, U.; Hartweg, M.; Hoenle, W.","K4 P3, eine Verbindung mit dem Radikalanion (P3)4-.","Angewandte Chemie (German Edition)","1989","101","","98","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539635","4.118","","16.399","","4.041","","90","","90","","90","","272.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge2 Ni Tb -","- Ge2 Ni Tb -","- Ge8 Ni4 Tb4 -","4","0.25","","Bazela, W.; Leciejewicz, J.; Maletka, K.; Szytula, A.","Magnetic ordering in Tb Ni Ge2 and Ho Ni0.64 Ge2 by neutron diffraction","Journal of Magnetism and Magnetic Materials","1992","109","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539636","4.094","","16.283","","4.024","","90","","90","","90","","268.25","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ge2 Ho Ni","","- Ge2 Ho Ni0.64 -","- Ge2 Ho Ni0.64 -","- Ge8 Ho4 Ni2.56 -","4","0.25","","Bazela, W.; Leciejewicz, J.; Maletka, K.; Szytula, A.","Magnetic ordering in Tb Ni Ge2 and Ho Ni0.64 Ge2 by neutron diffraction","Journal of Magnetism and Magnetic Materials","1992","109","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539738","10.706","","13.383","","5.728","","90","","90","","90","","820.699","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb (Cu2 I3)","","- Cu2 I3 Rb -","- Cu2 I3 Rb -","- Cu8 I12 Rb4 -","4","0.25","","Bigalke, K.P.; Hans, A.; Hartl, H.","Synthese und Strukturuntersuchungen von Iodocupraten(I). IX Synthese und Kristallstrukturen von Cs3 Cu2 I5 und Rb Cu2 I3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","563","","96","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539780","3.778","","10.365","","4.221","","90","","90","","90","","165.29","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Gd Ni -","- Gd Ni -","- Gd4 Ni4 -","4","0.25","","Blanco, J.A.; Gomez Sal, J.C.; Rodriguez Fernandez, J.; Gignoux, D.; Rodriguez-Carvajal, J.; Schmitt, D.","Magnetic and electrical properties of Gd Ni1-x Cux compounds","Journal of Physics: Condensed Matter","1992","4","","8233","8244","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539783","3.884","","10.845","","4.516","","90","","90","","90","","190.223","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ce Pt -","- Ce Pt -","- Ce4 Pt4 -","4","0.25","","Blanco, J.A.; Fernandez Barquin, L.; Rodriguez Fernandez, J.; Gomez Sal, J.C.; Gignoux, D.; Rodriguez-Carvajal, J.","Magnetic structures and cerium moment reduction in the Ce Nix Pt1-x ferromagnetic Kondo lattices","Journal of Magnetism and Magnetic Materials","1992","108","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539787","3.852","","10.699","","4.427","","90","","90","","90","","182.448","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Ni Pt -","- Ce2 Ni Pt -","- Ce4 Ni2 Pt2 -","2","0.125","","Blanco, J.A.; Rodriguez Fernandez, J.; Fernandez Barquin, L.; Rodriguez-Carvajal, J.; Gignoux, D.; Gomez Sal, J.C.","Magnetic structures and cerium moment reduction in the Ce Nix Pt1-x ferromagnetic Kondo lattices","Journal of Magnetism and Magnetic Materials","1992","108","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539834","6.971","","8.37","","4.8","","90","","90","","90","","280.067","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mg2 Ru D4","","- D4 Mg2 Ru -","- D4 Mg2 Ru -","- D16 Mg8 Ru4 -","4","0.25","","Bonhomme, F.; Fischer, P.; Yvon, K.; Triscone, G.; Auffermann, G.; Jansen, K.; Muller, P.; Bronger, W.","Orthorhombic dimagnesium ruthenium tetrahydride containing a diamagnetic [Ru H4]4- complex anion with C2v symmetry","Journal of Alloys Compd.","1992","178","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540429","3.6831","0.0002","25.8877","0.0019","16.8155","0.0011","90","","90","","90","","1603.31","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K2 S7 Sn3 -","- K2 S7 Sn3 -","- K8 S28 Sn12 -","4","0.25","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.0796","0.0749","","","0.2183","0.2237","","","","","","1.14","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540915","4.042","","20.72","","3.919","","90","","90","","90","","328.217","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Dy Ge3 -","- Dy Ge3 -","- Dy4 Ge12 -","4","0.25","","Schobinger-Papamantellos, P.; de Mooij, D.B.; Buschow, K.H.J.","Crystal structure of the compound Dy Ge3","Journal of Alloys Compd.","1992","183","","181","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541017","4.041","","16.282","","3.972","","90","","90","","90","","261.34","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb Co Si2","","- Co Si2 Tb -","- Co Si2 Tb -","- Co4 Si8 Tb4 -","4","0.25","","Szytula, A.; Ptasiewicz-Bak, H.; Leciejewicz, J.; Bazela, W.","Magnetic ordering in R Co Si2 (R= Tb, Dy, Ho) compounds","Journal of Magnetism and Magnetic Materials","1989","80","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541018","3.988","","16.225","","3.942","","90","","90","","90","","255.068","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dy Co Si2","","- Co Dy Si2 -","- Co Dy Si2 -","- Co4 Dy4 Si8 -","4","0.25","","Szytula, A.; Ptasiewicz-Bak, H.; Bazela, W.; Leciejewicz, J.","Magnetic ordering in R Co Si2 (R=Tb, Dy, Ho) compounds","Journal of Magnetism and Magnetic Materials","1989","80","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541019","3.932","","16.052","","3.894","","90","","90","","90","","245.776","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ho Co Si2","","- Co Ho Si2 -","- Co Ho Si2 -","- Co4 Ho4 Si8 -","4","0.25","","Szytula, A.; Bazela, W.; Ptasiewicz-Bak, H.; Leciejewicz, J.","Magnetic ordering in R Co Si2 (R=Tb, Dy, Ho) compounds","Journal of Magnetism and Magnetic Materials","1989","80","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541085","4.409","","44.1","","4.409","","90","","90","","90","","857.272","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd2 Te5 -","- Nd2 Te5 -","- Nd8 Te20 -","4","0.25","","Pardo, M.P.; Flahaut, J.","Les tellurures superieurs des elements des terres rares de formule L2 Te5 et L Te3","Bulletin de la Societe Chimique de France (Vol=Year)","1967","1967","","3658","3664","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541101","3.959","","10.475","","14.0519","","90","","90","","90","","582.74","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Li2 Lu3 Ge3","","- Ge3 Li2 Lu3 -","- Ge3 Li2 Lu3 -","- Ge12 Li8 Lu12 -","4","0.25","","Pavlyuk, V.V.; Bodak, O.I.","Crystalline structure of Li2 Tm3 Ge3 and Li2 Lu3 Fe3","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1992","28","","877","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","172331","2020-10-21","18:00:00",""
"1541166","12.681","","12.72","","10.346","","90","","90","","90","","1668.83","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na4 Si4 S10","","- Na4 S10 Si4 -","- Na4 S10 Si4 -","- Na16 S40 Si16 -","4","0.25","","Ribes, M.; Maurin, M.; Philippot, E.; Olivier-Fourcade, J.","Etude structurale de thiocomposes a groupement anionique de type tetrane Na4 X4 S10 (X= Ge, Si) et Ba2 Ge4 S10","Journal of Solid State Chemistry","1973","8","","195","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","172421","2020-10-21","18:00:00",""
"1541229","5.064","","12.04","","4.494","","90","","90","","90","","274.002","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn Sr -","- Sn Sr -","- Sn4 Sr4 -","4","0.25","","Merlo, F.; Fornasini, M.L.","CrB-type equiatomic compounds of europium, ytterbium and alkaline-earth metals with Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1967","13","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541230","4.763","","12.781","","4.909","","90","","90","","90","","298.84","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","In I","","- I In -","- I In -","- I4 In4 -","4","0.25","","Meyer, G.; Staffel, T.","Notiz zur Kenntnis der roten Monohalogenide des Indiums, In X (X=Cl, Br, I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","114","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541318","3.835","","20.72","","28.9","","90","","90","","90","","2296.43","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nb12 O29 -","- Nb12 O29 -","- Nb48 O116 -","4","0.25","","Norin, R.","The crystal structure of Nb12 O29 (orh)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","1391","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541687","15.864","","11.181","","16.048","","90","","90","","90","","2846.52","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Sn (C H3)2)6 P4","","- C12 H36 P4 Sn6 -","- C12 H36 P4 Sn6 -","- C48 H144 P16 Sn24 -","4","0.25","","Fuhr, O.; Fenske, D.","Die ungewoehnliche Umwandlung von P (Sn Me3)3 in P4 (Sn Me2)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","173104","2020-10-21","18:00:00",""
"1541778","23.07","","4.96","","19.43","","90","","90","","90","","2223.32","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Ca4 (Be2.5 Al1.5) (Si9 O25.5 (O H)0.5) (O H)2","","- Al1.5 Be2.5 Ca4 H2.5 O28 Si9 -","- Al1.5 Be2.5 Ca4 O28 Si9 -","- Al6 Be10 Ca16 O112 Si36 -","4","0.25","","Kharitonov, Yu.A.; Belov, N.V.; Ilyukhin, V.V.; Kuz'min, E.A.","Crystal structure of bavenite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","87","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541972","10.44","","8.75","","10.44","","90","","90","","90","","953.694","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Co N O (N H3)5 Cl2","","- Cl2 Co H15 N6 O -","- Cl2 Co H15 N6 O -","- Cl8 Co4 H60 N24 O4 -","4","0.25","","Hall, D.; Taggart, A.A.","The Crystal Structure of Nitrosylpentaamminecobalt Dichloride (Black Form)","Journal of the Chemical Society","1965","1965","","1359","1363","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542011","9.6782","","11.9565","","6.094","","90","","90","","90","","705.182","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pb (S O4) (Pb O)2","","- O6 Pb3 S -","- O6 Pb3 S -","- O24 Pb12 S4 -","4","0.25","","Mentzen, B.F.; Latrach, A.; Garnier, P.; Boher, P.; Bouix, J.","Structure cristalline de la phase haute temperature de Pb S O4 * 2 Pb O a 973K","Materials Research Bulletin","1984","19","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542094","3.758","","32.94","","3.749","","90","","90","","90","","464.083","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Hf2 Cu Ge4","","- Cu Ge4 Hf2 -","- Cu Ge4 Hf2 -","- Cu4 Ge16 Hf8 -","4","0.25","","Thirion, F.; Steinmetz, J.; Venturini, G.; Malaman, B.; Roques, B.","Structures cristallines de Zr6 Cu8 Si12 et Hf2 Cu Ge4 et caracterisation d'une famille de composes semimetalliques ""pseudolamellaires"" de formule Zr Si2 Cux ou x= 0.5, 1 et 1.33","Journal of the Less-Common Metals","1983","95","","47","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542194","5.788","","9.125","","6.99","","90","","90","","90","","369.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na Cd V O4","","- Cd Na O4 V -","- Cd Na O4 V -","- Cd4 Na4 O16 V4 -","4","0.25","","le Flem, G.; Olazcuaga, R.","Sur quelques solutions solides de structure Sr3 (P O4)2 caracterisees par des substitutions lacunaires ou couplees","Bulletin de la Societe Chimique de France (Vol=Year)","1968","1968","","2769","2780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542196","5.86","","9.255","","7.124","","90","","90","","90","","386.365","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na Ca V O4","","- Ca Na O4 V -","- Ca Na O4 V -","- Ca4 Na4 O16 V4 -","4","0.25","","le Flem, G.; Olazcuaga, R.","Sur quelques solutions solides de structure Sr3 (P O4)2 caracterisees par des substitutions lacunaires ou couplees","Bulletin de la Societe Chimique de France (Vol=Year)","1968","1968","","2769","2780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544345","5.3452","0.0002","7.9323","0.0003","6.0292","0.0003","90","","90","","90","","255.636","0.019","","","","","","","","","","","","3","C m c m","-C 2c 2","63","epsilon-Li2SO4 7.2 GPa and 723 K D.C.","","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","0.25","","Parfitt, D.C.; Keen, D.A.; Hull, S.; Crichton, W.A.; Mezouar, M.; Wilson, M.; Madden, P.A.","High-pressure forms of lithium sulphate: structural determination and computer simulation Sample: P = 5.2 GPa and T = 723 K","Physical Review B","2005","72","","054121","054127","10.1103/PhysRevB.72.054121","","","","","","","","","","","","","","","","","","","","","has coordinates","187514","2020-10-21","18:00:00",""
"1544379","5.6284","0.0007","8.2724","0.0007","6.1118","0.0006","90","","90","","90","","284.57","0.05","","","","","","","","","","","","3","C m c m","-C 2c 2","63","FeVO4 Cmcm","","","- Fe O4 V -","- Fe O4 V -","- Fe4 O16 V4 -","4","0.25","","Oka, Y.; Yao, T.; Yamamoto, N.; Ueda, Y.; Kawasaki, S.; Azuma, M.; Takano, M.","Hydrothermal synthesis, crystal structure, and magnetic properties of FeVO4-II","Journal of Solid State Chemistry","1996","123","","54","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","187630","2020-10-21","18:00:00",""
"1544381","3.6124","0.0001","14.9469","0.0007","5.2617","0.0003","90","","90","","90","","284.1","0.02","","","","","","","","","","","","3","C m c m","-C 2c 2","63","NaAlF4","","","- Al F4 Na -","- Al F4 Na -","- Al4 F16 Na4 -","4","0.25","","Kirik, S.D.; Zaitseva, J.N.","NaAlF4: preparation, crystal structure and thermal stability","Journal of Solid State Chemistry","2010","183","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","187632","2020-10-21","18:00:00",""
"1544455","10.8991","0.0001","7.4464","0.0007","7.493","0.0008","90","","90","","90","","608.12","0.09","","","","","","","","","","","","3","C m c m","-C 2c 2","63","Nd3IrO7@400K","","","- Ir Nd3 O7 -","- Ir Nd3 O7 -","- Ir4 Nd12 O28 -","4","0.25","","Nishimine, H.; Doi, Y.; Hinatsu, Y.; Sato, M.","Phase transition of Ln3IrO7 (Ln=Pr,Nd,Sm,Eu) and its low-temperature structure sample: at 400 K","Journal of the Ceramic Society of Japan","2007","115","","557","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","187772","2020-10-21","18:00:00",""
"1544551","5.0365","0.0007","7.2908","0.0009","5.7491","0.0009","90","","90","","90","","211.11","0.05","","","","","","","","","","","","3","C m c m","-C 2c 2","63","AlPO4 CrVO4 structure @ 13.9 GPa","","","- Al O4 P -","- Al O4 P -","- Al4 O16 P4 -","4","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 13.9 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188434","2020-10-21","18:00:00",""
"1544639","5.3546","0.0016","15.249","0.0005","7.094","0.002","90","","90","","90","","579.2","0.2","","","","","","","","","","","","5","C m c m","-C 2c 2","63","Ba0.97Sr0.03VSi2O7","","suzukiite","- Ba0.97 O7 Si2 Sr0.03 V -","- Ba1.94 O14 Si4 Sr0.06 V2 -","- Ba3.88 O28 Si8 Sr0.12 V4 -","2","0.125","","Ito, M.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Nakai, I.; Kato, A.","Crystal structure of suzukiite from the Mogurazawa mine, Gunma Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2014","109","","222","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","188591","2020-10-21","18:00:00",""
"1544863","14.9424","0.0019","10.6332","0.0015","7.0365","0.0008","90","","90","","90","","1118","0.2","","","","","","","","","","","","8","C m c m","-C 2c 2","63","Y4Ti(SiO4)2O[F,OH]6","","mieite-(Y)","- Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 -","- Al0.45 Dy0.92 F5.55 O9 Si2 Ti0.55 Y3.08 -","- Al1.8 Dy3.68 F22.2 O36 Si8 Ti2.2 Y12.32 -","4","0.25","","Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S.","Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: not annealed","Journal of Mineralogical and Petrological Sciences","2015","110","","135","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","189378","2020-10-21","18:00:00",""
"1544864","14.934","0.013","10.53","0.009","6.952","0.006","90","","90","","90","","1093.2","1.6","","","","","","","","","","","","8","C m c m","-C 2c 2","63","Y4Ti(SiO4)2O[F,OH]6 annealed","","mieite-(Y) annealed","- Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 -","- Al0.45 Dy0.92 F5.55 O9 Si2 Ti0.55 Y3.08 -","- Al1.8 Dy3.68 F22.2 O36 Si8 Ti2.2 Y12.32 -","4","0.25","","Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S.","Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: annealed at 810 C","Journal of Mineralogical and Petrological Sciences","2015","110","","135","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","189379","2020-10-21","18:00:00",""
"1544915","3.806","0.003","10.057","0.003","10.267","0.003","90","","90","","90","","393","0.4","","","293.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 293 K","- Mg5 Nb4 O15 -","- Mg3.328 Nb2.672 O10 -","- Mg6.656 Nb5.344 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 293 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190933","2020-10-21","18:00:00",""
"1544916","3.805","0.004","10.08","0.005","10.28","0.003","90","","90","","90","","394.3","0.5","","","484.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 484 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 484 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190936","2020-10-21","18:00:00",""
"1544917","3.809","0.004","10.08","0.005","10.294","0.003","90","","90","","90","","395.2","0.5","","","590.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 590 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 590 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190937","2020-10-21","18:00:00",""
"1544918","3.815","0.005","10.097","0.005","10.314","0.003","90","","90","","90","","397.3","0.6","","","695.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 695 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 695 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190938","2020-10-21","18:00:00",""
"1544919","3.814","0.004","10.111","0.004","10.334","0.004","90","","90","","90","","398.5","0.5","","","802.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 802 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 802 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190939","2020-10-21","18:00:00",""
"1544920","3.809","0.004","10.15","0.003","10.376","0.003","90","","90","","90","","401.2","0.5","","","1013.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 1013 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 1013 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190940","2020-10-21","18:00:00",""
"1544921","3.81","0.006","10.188","0.005","10.398","0.005","90","","90","","90","","403.6","0.7","","","1117.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 1117 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 1117 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190941","2020-10-21","18:00:00",""
"1545046","15.8901","0.0004","19.2041","0.0005","22.9477","0.0006","90","","90","","90","","7002.6","0.3","276.86","0.1","276.86","0.1","","","","","","","","9","C m c m","-C 2c 2","63","","","","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C228 H136 Cl20 Co4 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0524","0.0501","","","0.1492","0.1512","","","","","","1.111","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545156","3.808","0.003","10.055","0.003","10.267","0.003","90","","90","","90","","393.1","0.4","","","378.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 378 K","- Mg5 Nb4 O15 -","- Mg3.344 Nb2.656 O10 -","- Mg6.688 Nb5.312 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 378 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190942","2020-10-21","18:00:00",""
"1545157","3.814","0.004","10.123","0.003","10.348","0.003","90","","90","","90","","399.5","0.5","","","909.15","","","","","","","","","3","C m c m","-C 2c 2","63","Mg5Nb4O15","","Mg5Nb4O15 at 909 K","- Mg5 Nb4 O15 -","- Mg3.336 Nb2.664 O10 -","- Mg6.672 Nb5.328 O20 -","2","0.125","","Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Crystal structures of pseudobrookite-type Mg5Nb4O15 from 293 to 1117 K Sample: at 802 K","Journal of the Ceramic Society of Japan","2009","117","","489","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","190943","2020-10-21","18:00:00",""
"1548063","9.147","0.0002","8.32715","0.0002","27.0121","0.0005","90","","90","","90","","2057.47","0.08","293","","293","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C4 H12 Al Cu3 F7 N20 O2 -","- C4 H12 Al Cu3 F7 N20 O2 -","- C16 H48 Al4 Cu12 F28 N80 O8 -","4","0.25","","Sandy Auguste","Synthese et caracterisation de materiaux hybrides fluores poreux pour le stockage de gaz","Master Science et Technologie Report- Le Mans","2009","","","1","","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.2334","","","","","","","","has coordinates","203235","2020-10-21","18:00:00",""
"1548380","12.842","0.006","21.083","0.005","25.145","0.005","90","","90","","90","","6808","4","173.15","0.1","173.15","0.1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C58 H48 Ag5 F6 N17 O6 S2 -","- C58 H48 Ag5 F6 N17 O6 S2 -","- C232 H192 Ag20 F24 N68 O24 S8 -","4","0.25","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.1871","0.1818","","","0.3393","0.3422","","","","","","1.098","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548781","5.57374","0.00006","14.11358","0.00016","5.63458","0.00007","90","","90","","90","","443.247","0.009","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- F2 N Na0.985 O3 Pb1.015 -","- F2 N Na0.985 O3 Pb1.015 -","- F8 N4 Na3.94 O12 Pb4.06 -","4","0.25","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.5418","","","0.0115","0.0115","","0.0159","0.0159","","","","2.16","","","","","","","has coordinates","205635","2020-10-21","18:00:00",""
"1549168","9.8266","0.0005","22.0654","0.0012","22.1641","0.0011","90","","90","","90","","4805.8","0.4","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","","Catena((mu-1,2-bis(4-pyridine)ethylene-N,N')- (mu-diethylmalonato-O,O')-zinc(II) 1,2-bis(4-pyridine)ethylene solvate)","","- C22 H22.5 N2.5 O4 Zn -","- C22 H22.25 N2.5 O4 Zn -","- C176 H178 N20 O32 Zn8 -","8","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0768","0.0516","","","0.1293","0.1398","","","","","","1","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1550265","24.715","0.005","23.137","0.004","13.595","0.003","90","","90","","90","","7774","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C38 H60 Mo13 N10 O34 -","- C37 H39 Mo13 N9 O36 -","- C148 H156 Mo52 N36 O144 -","4","0.25","","Luo, Benlong; Sang, Rui-LI; Lin, Lifang; Xu, Li","Mo3IV-Polyoxomolybdates with Frustrated Lewis Pairs For High-Performance Hydrogenation Catalysis","Catalysis Science & Technology","2019","","","","","10.1039/C8CY01771A","","","0.71073","MoKα","","0.0394","0.0356","","","0.0953","0.0985","","","","","","1.046","","","","has coordinates","212087","2020-10-21","18:00:00",""
"1550463","5.7716","","8.7145","","6.3052","","90","","90","","90","","317.13","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","CuMgVO4","","","- Cu Mg O5 V -","- Cu Mg O4 V -","- Cu4 Mg4 O16 V4 -","4","0.25","","Gake, T.; Matsushita, S.; Arai, M.; Obata, K.","Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study","Journal of the Ceramic Society of Japan","2019","127","","50","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","213014","2020-10-21","18:00:00",""
"1551715","8.985","0.0009","15.767","0.0016","6.994","0.0006","90","","90","","90","","990.82","0.16","169","2","169","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H12 I N -","- C8 H12 I N -","- C32 H48 I4 N4 -","4","0.25","","BUTTRUS, Nabel H.; TAQA, Amer A.; RUMADTHAN, Eman M. R.; JOHMOTO, Kohei; UEKUSA, Hidehiro","Crystal Structure of 1,3,5-Trimethylpyridinium iodide","X-ray Structure Analysis Online","2011","27","","19","","10.2116/xraystruct.27.19","","x-ray","0.71073","MoKα","","0.0224","0.0215","","","0.0522","0.0527","","","","","","1.065","","","","has coordinates","216327","2020-10-21","18:00:00",""
"1552090","18.12","","20","","7.7","","90","","90","","90","","2790.48","","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Si-MOR","","- O128 Si64 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.3181","0.291","","","0.6105","0.6472","","","","","","2.159","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552503","2.85107","0.00002","9.4893","0.00008","9.67853","0.00008","90","","90","","90","","261.849","0.004","","","","","","","","","","","","3","C m c m","-C 2c 2","63","MgCr2O4 CT","","MgCr2O4 with CaTi2O4-type structure","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr8 Mg4 O16 -","4","0.25","","Ishii, T.; Kojitani, H.; Fujino, K.; Yusa, H.; Mori, D.; Inaguma, Y.; Matsushita, Y.; Yamamura, K.; Akaogi, M.","High-pressure high-temperature transitions in MgCr2O4 and crystal structures of new Mg2Cr2O5 and post-spinel MgCr2O4 phases with implications for ultrahigh-pressure chromitites in ophiolites","American Mineralogist","2015","100","","59","65","10.2138/am-2015-4818","","","","","","","","","","","","","","","","","","","","","has coordinates","220514","2020-10-21","18:00:00",""
"1556756","3.5029","0.0001","12.8699","0.0005","15.6768","0.0008","90","","90","","90","","706.74","0.05","400","2","400","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni4 Se20 Ta8 -","4","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.27865","synchrotron","","0.0238","0.0197","","","0.0519","0.053","","","","","","1.147","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556757","3.4375","0.0002","12.375","0.001","15.4437","0.0014","90","","90","","90","","656.96","0.09","300","2","300","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni4 Se20 Ta8 -","4","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0433","0.0352","","","0.0886","0.0901","","","","","","0.998","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1557344","22.201","0.003","14.937","0.002","6.49","0.003","90","","90","","90","","2152.2","1.1","","","293","","","","","","","","","5","C m c m","-C 2c 2","63","N(6)-Methyladeninium hemisulfate dihydrate","","","- C6 H12 N5 O4 S0.5 -","- C6 N5 O4 S0.5 -","- C48 N40 O32 S4 -","8","0.5","","Dahl, Tor; Fossli, Dag; Rasmussen, Inge","Crystal Structures of N(6),N(6)-Dimethyladeninium Bisulfate and N(6)-Methyladeninium Hemisulfate Dihydrate","Acta Chemica Scandinavica","1996","50","","24","28","10.3891/acta.chem.scand.50-0024","","x-ray","1.5418","CuKα","","","0.06","","","0.069","","","","","","","","","","","has coordinates","248313","2020-10-21","18:00:00",""
"1558790","44.1472","0.0014","12.5213","0.0005","41.9116","0.0014","90","","90","","90","","23167.9","1.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- B6 H118 Na8 O216 Si4 W40 Zr8 -","- B6 Na8 O216 Si4 W40 Zr8 -","- B24 Na32 O864 Si16 W160 Zr32 -","4","0.25","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0871","0.067","","","0.1548","0.1668","","","","","","1.091","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558867","16.896","0.003","9.1399","0.0018","14.033","0.003","90","","90","","90","","2167.1","0.7","300","","300","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl6 Cs5 Cu3 I2 -","- Cl6 Cs5 Cu3 I2 -","- Cl24 Cs20 Cu12 I8 -","4","0.25","","Jiangwei Li, Takeshi Inoshita, Tianping Ying, Atsushi Ooishi, Junghwan Kim, Hideo Hosono","A Highly Efficient and Stable Blue-Emitting Cs5Cu3Cl6I2 with a 1D Chain Structure","Advanced Materials","2020","","","2002945","","","","x-ray","0.71073","MoKα","","0.0289","0.0278","","","0.0656","0.0662","","","","","","1.245","","","","has coordinates","255446","2020-10-21","18:00:00",""
"1560183","14.7754","0.0011","14.9336","0.0011","14.0276","0.0008","90","","90","","90","","3095.2","0.4","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Co Ho N10 O8 -","- C26 H28 Co Ho N10 O8 -","- C104 H112 Co4 Ho4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0295","0.0288","","","0.0578","0.058","","","","","","1.217","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560184","14.872","0.0003","15.2339","0.0003","14.1487","0.0003","90","","90","","90","","3205.51","0.11","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho Ir N10 O8 -","- C26 H28 Ho Ir N10 O8 -","- C104 H112 Ho4 Ir4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71073","MoKα","","0.0225","0.0187","","","0.0448","0.0462","","","","","","1.094","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560185","14.8236","0.0006","15.1198","0.0008","14.066","0.0007","90","","90","","90","","3152.6","0.3","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho N10 O8 Rh -","- C26 H28 Ho N10 O8 Rh -","- C104 H112 Ho4 N40 O32 Rh4 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0682","0.0574","","","0.0935","0.0969","","","","","","1.175","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560608","14.3641","0.0011","14.1462","0.0011","7.4643","0.0006","90","","90","","90","","1516.7","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H11 Cl Cu2 O10 -","- C9 H11 Cl Cu2 O10 -","- C36 H44 Cl4 Cu8 O40 -","4","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0324","0.0299","","","0.0797","0.0814","","","","","","1.039","","","","has coordinates","262189","2021-02-24","10:01:26",""
"1561192","5.8858","0.0004","17.938","0.0012","7.9079","0.0005","90","","90","","90","","834.91","0.1","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- La3 O8 Pb V -","- La3 O8 Pb V -","- La12 O32 Pb4 V4 -","4","0.25","","Colmont, Marie; Mentré, Olivier; Henry, Natacha; Pautrat, Alain; Leclercq, Bastien; Capet, Frédéric; Djelal, Nora; Roussel, Pascal","Undulated oxo-centered layers in PbLn3O4(VO4) (Ln= La and Nd) and relationship with Nd4O4(GeO4)","Journal of Solid State Chemistry","2018","260","","101","105","10.1016/j.jssc.2018.01.016","","x-ray","0.71073","MoKα","","0.0222","0.0192","","","0.0248","0.0252","","","","1.53","1.53","1.48","","","","has coordinates","263238","2021-03-23","08:18:36",""
"1561193","5.8708","0.0004","17.8771","0.0012","7.8989","0.0005","90","","90","","90","","829.01","0.1","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- La3 O8 Pb V -","- La3 O8 Pb V -","- La12 O32 Pb4 V4 -","4","0.25","","Colmont, Marie; Mentré, Olivier; Henry, Natacha; Pautrat, Alain; Leclercq, Bastien; Capet, Frédéric; Djelal, Nora; Roussel, Pascal","Undulated oxo-centered layers in PbLn3O4(VO4) (Ln= La and Nd) and relationship with Nd4O4(GeO4)","Journal of Solid State Chemistry","2018","260","","101","105","10.1016/j.jssc.2018.01.016","","x-ray","0.71073","MoKα","","0.0175","0.0169","","","0.0231","0.0234","","","","1.5","1.5","1.49","","","","has coordinates","263238","2021-03-23","08:18:37",""
"1561340","11.9725","0.0007","10.4147","0.0007","8.3646","0.0006","90","","90","","90","","1042.98","0.12","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H6 Hg4 O6 P2 -","- C3 H4 Hg4 O6 P2 -","- C12 H16 Hg16 O24 P8 -","4","0.25","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0556","0.0384","","","0.0798","0.0882","","","","","","1.073","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561983","4.008","0.0002","21.3652","0.0008","10.6229","0.0004","90","","90","","90","","909.66","0.07","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Sc Se5 U -","- Cs Sc Se5 U -","- Cs4 Sc4 Se20 U4 -","4","0.25","","Ward, Matthew D.; Lee, Minseong; Choi, Eun Sang; Ibers, James A.","Synthesis and characterization of the quaternary scandium uranium selenide CsScUSe3(Se2)","Journal of Solid State Chemistry","2015","226","","307","311","10.1016/j.jssc.2015.03.011","","","0.71073","MoKα","","0.0564","0.0437","","","0.1077","0.1165","","","","","","1.14","","","","has coordinates","264397","2021-04-22","08:32:31",""
"1562506","5.304","0.0011","24.519","0.005","14.573","0.003","90","","90","","90","","1895.2","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au10.06 Ga6.94 Na8 -","- Au10.07 Ga6.93 Na8 -","- Au40.28 Ga27.72 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.0431","0.0295","","","0.0554","0.0586","","","","","","1.059","","","","has coordinates","265131","2021-05-12","07:38:42",""
"1562508","5.315","0.0011","24.539","0.005","14.546","0.003","90","","90","","90","","1897.2","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au10.2 Ga6.8 Na8 -","- Au10.224 Ga6.776 Na8 -","- Au40.896 Ga27.104 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.126","0.0781","","","0.1398","0.1528","","","","","","1.178","","","","has coordinates","265131","2021-05-12","07:38:56",""
"1562509","5.308","0.0011","24.505","0.005","14.561","0.003","90","","90","","90","","1894","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au9.43 Ga7.57 Na8 -","- Au9.436 Ga7.564 Na8 -","- Au37.744 Ga30.256 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.1232","0.0716","","","0.1358","0.154","","","","","","1.024","","","","has coordinates","265131","2021-05-12","07:39:07",""
"1562510","5.3096","0.0011","24.455","0.005","14.545","0.003","90","","90","","90","","1888.6","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au9.77 Ga7.23 Na8 -","- Au9.774 Ga7.226 Na8 -","- Au39.096 Ga28.904 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.061","0.0363","","","0.0632","0.0691","","","","","","1.13","","","","has coordinates","265131","2021-05-12","07:39:09",""
"1562559","3.002","","5.018","","4.684","","90","","90","","90","","70.56","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mo2.5 Nb5 Ti92.5 -","- Mo0.025 Nb0.05 Ti0.925 -","- Mo0.1 Nb0.2 Ti3.7 -","4","0.25","","Myslyvchenko, Oleksandr; Bondar, Anatolii; Petyukh, Vasylii; Tikhonova, Irina; Tsyganenko, Natalia","Structure of orthorhombic martensite in the Ti92.5Nb5Mo2.5 alloy, its deformation and thermal stability","Materials Letters","2020","277","","128267","128270","10.1016/j.matlet.2020.128267","","","","","","","","","","","","","","","","","","","","","has coordinates","265254","2021-05-16","18:35:21",""
"1562621","10.568","0.002","9.929","0.002","14.249","0.003","90","","90","","90","","1495.1","0.5","400","2","400","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H14 B3 F12 K N2 -","- C4.5 H14 B3 F12 K N2 -","- C18 H56 B12 F48 K4 N8 -","4","0.25","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","0.77487","synchrotron","","0.079","0.0772","","","0.2331","0.2423","","","","","","1.039","","","","has coordinates,has disorder","265286","2021-05-18","03:08:45",""
"1562715","14.054","0.003","27.204","0.005","25.591","0.005","90","","90","","90","","9784","3","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C96 H0 Ag12 N24 O140 P4 W36 -","- C96 Ag12 N24 O140 P4 W36 -","- C192 Ag24 N48 O280 P8 W72 -","2","0.125","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells‒Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.1053","0.0732","","","0.1885","0.2119","","","","","","1.171","","","","has coordinates,has disorder","265369","2021-05-20","09:04:14",""
"1562760","4.341","0.0001","10.323","0.0002","7.851","0.00019","90","","90","","90","","351.82","0.014","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Yb0.95PtIn2","","- In2 Pt Yb0.95 -","- In2 Pt Yb0.95 -","- In8 Pt4 Yb3.8 -","4","0.25","","Malingowski, Andrew C.; Kim, Moosung; Liu, Jue; Wu, Liusuo; Aronson, Meigan C.; Khalifah, Peter G.","Factors governing Yb magnetism in Yb0.95PtIn2 and other MgCuAl2-type structures","Journal of Solid State Chemistry","2013","198","","308","315","10.1016/j.jssc.2012.04.007","","","0.71073","MoKα","","0.0207","0.0193","","","0.0456","0.0464","","","","","","1.146","","","","has coordinates","265404","2021-05-21","07:21:55",""
"1562780","6.5651","0.0013","15.431","0.003","18.157","0.004","90","","90","","90","","1839.4","0.7","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H15 In2 N2 O13 P3 -","- C6 H In2 N2 O13 P3 -","- C24 H4 In8 N8 O52 P12 -","4","0.25","","Li, Huiduan; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Construction of two novel indium phosphites with (3,6)- and (3,5)-connected frameworks: Synthesis, structure and characterization","Journal of Solid State Chemistry","2013","197","","75","80","10.1016/j.jssc.2012.09.017","","","0.71073","MoKα","","0.0422","0.0398","","","0.1131","0.1151","","","","","","1.17","","","","has coordinates,has disorder","265411","2021-05-21","08:22:21",""
"1562977","3.02605","0.00003","10.0579","0.00009","7.40138","0.00006","90","","90","","90","","225.266","0.004","","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.25","","Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.","High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3","Journal of Solid State Chemistry","2012","191","","167","174","10.1016/j.jssc.2012.03.004","powder diffraction","","0.51973","synchrotron","","0.01736","","","","","","0.01736","0.02422","1.08","","","","","","","has coordinates","265624","2021-05-31","07:36:19",""
"1563064","7.1695","0.0016","19.018","0.004","16.588","0.004","90","","90","","90","","2261.8","0.9","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cr2 Mg O23 U2 -","- Cr2 Mg O23 U2 -","- Cr8 Mg4 O92 U8 -","4","0.25","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0432","0.0357","","","0.1033","0.1077","","","","","","1.078","","","","has coordinates","265664","2021-06-02","07:18:45",""
"1563243","4.1386","0.0013","12.593","0.004","11.64","0.004","90","","90","","90","","606.6","0.3","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","cobalt-zinc stannide","","","- Co7.2 Sn8 Zn2.8 -","- Co7.24 Sn8.0192 Zn2.9 -","- Co14.48 Sn16.0384 Zn5.8 -","2","0.125","","Reynolds, Patricia C.; Stojanovic, Milorad; Latturner, Susan E.","Flux growth of a new cobalt‒zinc‒tin ternary phase Co7+xZn3−xSn8 and its relationship to CoSn","Journal of Solid State Chemistry","2011","184","7","1875","1881","10.1016/j.jssc.2011.05.019","","","0.71073","MoKα","","0.0314","0.0301","","","0.0728","0.0739","","","","","","1.104","","","","has coordinates","266291","2021-06-09","07:40:55",""
"1563381","9.7196","0.0007","15.1887","0.001","13.1473","0.0007","90","","90","","90","","1940.9","0.2","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H24 In2 Mg N6 S4 -","- C6 H24 In2 Mg N6 S4 -","- C24 H96 In8 Mg4 N24 S16 -","4","0.25","","Quiroga-González, E.; Kienle, L.; Näther, C.; Chakravadhanula, V.S.K.; Lühmann, H.; Bensch, W.","Zero- and one-dimensional thioindates synthesized under solvothermal conditions yielding α-In2S3, β-In2S3 or MgIn2S4 as thermal decomposition products","Journal of Solid State Chemistry","2010","183","12","2805","2812","10.1016/j.jssc.2010.09.024","","","0.71073","MoKα","","0.0335","0.0285","","","0.0785","0.0806","","","","","","1.129","","","","has coordinates","266424","2021-06-14","07:40:37",""
"1563403","4.6579","0.0016","9.767","0.004","4.4901","0.0016","90","","90","","90","","204.27","0.13","298","2","298","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al0.54 Li0.96 -","- Al0.542 Li0.955 -","- Al4.336 Li7.64 -","8","0.5","","Puhakainen, Kati; Boström, Magnus; Groy, Thomas L.; Häussermann, Ulrich","A new phase in the system lithium‒aluminum: Characterization of orthorhombic Li2Al","Journal of Solid State Chemistry","2010","183","11","2528","2533","10.1016/j.jssc.2010.08.029","","","0.71073","MoKα","","0.0304","0.0251","","","0.0545","0.0558","","","","","","1.056","","","","has coordinates","266435","2021-06-14","09:21:30",""
"1563408","4.2058","0.0018","13.903","0.006","32.12","0.013","90","","90","","90","","1878.2","1.4","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","tin bismuth selenium (6/2/9)","","- Bi2 Se9 Sn6 -","- Bi2 Se9 Sn6 -","- Bi8 Se36 Sn24 -","4","0.25","","Chen, Kuei-Bo; Lee, Chi-Shen","Synthesis and phase width of new quaternary selenides PbxSn6−xBi2Se9 (x=0‒4.36)","Journal of Solid State Chemistry","2010","183","11","2616","2622","10.1016/j.jssc.2010.08.034","","","0.71073","MoKα","","0.1422","0.0938","","","0.2685","0.2877","","","","","","1.344","","","","has coordinates","266438","2021-06-14","09:35:52",""
"1563409","4.2105","0.0008","13.945","0.003","32.174","0.005","90","","90","","90","","1889.1","0.6","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","lead tin bismuth selenium (1.78/4.22/2/9)","","- Bi2 Pb1.78 Se9 Sn4.22 -","- Bi1.995 Pb1.781 Se9 Sn4.223 -","- Bi7.98 Pb7.124 Se36 Sn16.892 -","4","0.25","","Chen, Kuei-Bo; Lee, Chi-Shen","Synthesis and phase width of new quaternary selenides PbxSn6−xBi2Se9 (x=0‒4.36)","Journal of Solid State Chemistry","2010","183","11","2616","2622","10.1016/j.jssc.2010.08.034","","","0.71073","MoKα","","0.0442","0.0354","","","0.093","0.0982","","","","","","1.051","","","","has coordinates","266438","2021-06-14","09:35:55",""
"1563410","4.2469","0.0007","14.073","0.002","32.383","0.005","90","","90","","90","","1935.4","0.5","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","lead tin bismuth selenium (4.36/1.64/2/9)","","- Bi2 Pb4.36 Se9 Sn1.64 -","- Bi1.997 Pb4.357 Se9 Sn1.646 -","- Bi7.988 Pb17.428 Se36 Sn6.584 -","4","0.25","","Chen, Kuei-Bo; Lee, Chi-Shen","Synthesis and phase width of new quaternary selenides PbxSn6−xBi2Se9 (x=0‒4.36)","Journal of Solid State Chemistry","2010","183","11","2616","2622","10.1016/j.jssc.2010.08.034","","","0.71073","MoKα","","0.0401","0.0318","","","0.0773","0.081","","","","","","1.098","","","","has coordinates","266438","2021-06-14","09:36:01",""
"1563570","4.3567","0.0002","16.9899","0.0009","4.1517","0.0002","90","","90","","90","","307.31","0.03","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu4 Pt4.3 Si7.7 -","- Eu4 Pt4 Si8 -","- Eu4 Pt4 Si8 -","1","0.0625","","Gribanov, Alexander; Grytsiv, Andriy; Rogl, Peter; Seropegin, Yurii; Giester, Gerald","X-ray structural study of intermetallic alloys RT2Si and RTSi2 (R=rare earth, T=noble metal)","Journal of Solid State Chemistry","2010","183","6","1278","1289","10.1016/j.jssc.2010.03.038","","","0.71069","MoKα","","0.1948","0.1902","","","0.4772","0.4781","","","","","","6.601","","","","has coordinates","266560","2021-06-18","08:38:48",""
"1563655","4.2604","0.0002","16.7737","0.0006","4.1787","0.0001","90","","90","","90","","298.621","0.019","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Rh Si2 -","- Ce Rh0.762 Si2.24 -","- Ce4 Rh3.048 Si8.96 -","4","0.25","","Lipatov, Alexey; Gribanov, Alexander; Grytsiv, Andriy; Safronov, Sergey; Rogl, Peter; Rousnyak, Julia; Seropegin, Yurii; Giester, Gerald","The ternary system cerium‒rhodium‒silicon","Journal of Solid State Chemistry","2010","183","4","829","843","10.1016/j.jssc.2010.01.029","","","0.71069","MoKα","","0.0208","0.0173","","","0.0371","0.0536","","","","","","1.294","","","","has coordinates","266635","2021-06-23","09:01:58",""
"1565983","7.6135","0.0003","23.9582","0.0011","12.4828","0.0006","90","","90","","90","","2276.93","0.18","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al61.49 Mn11.35 Ni4 -","- Al61.486 Mn11.354 Ni4 -","- Al122.972 Mn22.708 Ni8 -","2","0.125","WM4158","Hu, Qifa; Wen, Bin; Fan, Changzeng","The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system","IUCrData","2022","7","1","x220038","","10.1107/S2414314622000384","","","0.71073","MoKα","","0.0556","0.039","","","0.0876","0.0945","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","272821","2022-02-06","04:45:35",""
"1566248","6.7031","0.0006","10.9813","0.0011","8.2969","0.0008","90","","90","","90","","610.72","0.1","","","298","","","","100","","","","","4","C m c m","-C 2c 2","63","RbNaNbF7","","","- F7 Na Nb Rb -","- F7 Na Nb Rb -","- F28 Na4 Nb4 Rb4 -","4","0.25","","Kumada, N.; Takei, T.","Hydrothermal synthesis and crystal structure of a new rubidium sodium niobium fluoride, RbNaNbF7","Journal of the Ceramic Society of Japan","2022","130","","232","235","10.2109/jcersj2.21147","","","","","","","","","","","","","","","","","","","","","has coordinates","272402","2022-02-01","23:51:15",""
"1567142","6.476","0.0006","7.2221","0.0007","16.615","0.002","90","","90","","90","","777.09","0.14","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 N2 Ni O4 S -","- C6 H8 N2 Ni O4 S -","- C24 H32 N8 Ni4 O16 S4 -","4","0.25","","González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław","Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates","New Journal of Chemistry","2022","46","31","14786","14792","10.1039/D2NJ01188C","powder diffraction","x-ray","1.5418","CuKα","","0.027","0.027","","0.0359","0.0359","","","","3.18","","","","","","","has coordinates","277676","2022-09-06","10:13:43",""
"1568300","7.35","0.03","17.78","0.07","6.23","0.02","90","","90","","90","","814","5","453","2","453","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 N Ni -","- C4 H11 Cl3 N Ni -","- C16 H44 Cl12 N4 Ni4 -","4","0.25","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0755","0.0612","","","0.1752","0.1863","","","","","","1.006","","","","has coordinates","281380","2023-03-04","17:59:57",""
"1568983","3.8141","0.0003","15.617","0.006","2.9664","0.0006","90","","90","","90","","176.69","0.08","","","298","","","","100","","","","","4","C m c m","-C 2c 2","63","K0.75Li0.25Ti1.75O4","","","- K0.75 Li0.25 O4 Ti1.75 -","- K0.742 Li0.25 O4 Ti1.75 -","- K1.484 Li0.5 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : K0.75Li0.25Ti1.75O4","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282927","2023-05-01","09:32:53",""
"1568984","3.783","0.0003","14.578","0.005","2.9723","0.0003","90","","90","","90","","163.92","0.06","","","473","","","","100","","","","","4","C m c m","-C 2c 2","63","Na0.75Li0.25Ti1.75O4 at 200 C","","","- Li0.25 Na0.75 O4 Ti1.75 -","- Li0.25 Na0.672 O4 Ti1.75 -","- Li0.5 Na1.344 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4 at 200 C","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282928","2023-05-01","09:33:42",""
"1571398","7.635","0.003","6.392","0.002","4.2007","0.0014","90","","90","","90","","205.01","0.12","300","2","300","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al2.86 Fe -","- Al2.86 Fe -","- Al11.44 Fe4 -","4","0.25","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0611","0.0363","","","0.0763","0.0844","","","","","","1.017","","","","has coordinates","291089","2024-04-05","14:31:36",""
"2000184","7.3964","0.0003","12.8372","0.0005","13.6726","0.0004","90","","90","","90","","1298.2","0.08","","","","","","","","","","","","6","C m c m","-C 2c 2","","","","","- C6 H8 Fe Gd N6 O4 -","- C6 Fe Gd N6 O4 -","- C24 Fe4 Gd4 N24 O16 -","4","0.25","ST0519","Mullica, D. F.; Sappenfield, E. L.","Structure of gadolinium hexacyanoferrate(III) tetrahydrate","Acta Crystallographica Section C","1991","47","11","2433","2435","10.1107/S0108270191006364","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000638","7.4783","0.0015","10.81","0.003","10.731","0.003","90","","90","","90","","867.5","0.4","150","0.1","","","","","","","","","","4","C m c m","-C 2c 2","","","","","- C5 I Mn O5 -","- C5 I Mn O5 -","- C20 I4 Mn4 O20 -","4","0.25","HA1007","Blake, A. J.; Johnson, B. F. G.; Sieker, A.","Pentacarbonyliodomanganese(I)","Acta Crystallographica Section C","1992","48","9","1708","1709","10.1107/S0108270192005559","","","0.71073","MoKα","","","0.0117","","","0.0163","","","","","0.68","0.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000656","3.8268","0.0002","14.3142","0.0006","6.1724","0.0004","90","","90","","90","","338.11","0.03","","","","","","","","","","","","3","C m c m","-C 2c 2","","","","","- Bi2 O5 Sr2 -","- Bi2 O6 Sr2 -","- Bi4 O12 Sr4 -","2","0.125","MU0273","Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W.","Structure of Sr~2~Bi~2~O~5~ from X-ray and neutron powder diffraction data","Acta Crystallographica Section C","1992","48","8","1380","1382","10.1107/S0108270192000581","","neutron","2.57171","neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000975","4.3725","0.0001","11.679","0.0003","5.411","0.0001","90","","90","","90","","276.32","0.011","","","","","","","","","","","","4","C m c m","-C 2c 2","","","","","- Cu K0.95 O2 Sr0.05 -","- Cu K O2 Sr -","- Cu4 K4 O8 Sr4 -","4","0.25","HA0076","Abrahams, I.; Pienkowski, M. C.; Bruce, P. G.; Edwards, P. P.","Structure of potassium strontium cuprate, K~0.95~Sr~0.05~CuO~2~","Acta Crystallographica Section C","1992","48","4","731","733","10.1107/S0108270191011629","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001808","10.075","0.001","8.257","0.001","7.482","0.001","90","","90","","90","","622.42","0.13","293","","293","1","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium pentafluoroaluminate hydrate","","- Al F5 H2 O Tl2 -","- Al F5 O Tl2 -","- Al4 F20 O4 Tl8 -","4","0.25","SE1018","Molinier, M.; Massa, W.","Refinement of the structure of Tl~2~AlF~5~.H~2~O","Acta Crystallographica Section C","1993","49","4","782","784","10.1107/S010827019201148X","","","0.71069","MoKα","","","0.0382","","","0.0301","","","","","2.47","2.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002140","5.898","0.003","10.183","0.002","14.877","0.011","90","","90","","90","","893.5","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Hexabarium didysprosium tetraaluminium oxide","","- Al4 Ba6 Dy2 O15 -","- Al4 Ba6 Dy2 O15 -","- Al8 Ba12 Dy4 O30 -","2","0.125","","Rueter, I; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp bei Barium-Lanthanoid-Aluminaten: Ba6 Dy2 Al4 O15","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","573","","89","94","10.1002/zaac.19895730109","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002258","3.565","","16.32599","","3.921","","90","","90","","90","","228.2","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Strontium copper oxide","","- Cu O2 Sr -","- Cu O2 Sr -","- Cu4 O8 Sr4 -","4","0.25","","Teske, C L; Mueller-Buschbaum, Hk","Zur Kenntnis von Ca2 Cu O3 und Sr Cu O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","379","","234","241","10.1002/zaac.19713790303","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002262","3.565","","16.308","","3.916","","90","","90","","90","","227.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium copper nickel oxide (1/.75/.25/2)","","- Cu0.75 Ni0.25 O2 Sr -","- Cu0.75 Ni0.25 O2 Sr -","- Cu3 Ni O8 Sr4 -","4","0.25","","Mueller-Buschbaum, Hk; Mattausch, H","Zur Kenntnis von Sr Cu0.75 Ni0.25 O~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","377","","144","151","10.1002/zaac.19703770207","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002301","3.631","","9.574","","9.785","","90","","90","","90","","340.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Iron(III) aluminium titanium oxide","","- Al Fe O5 Ti -","- Al0.9999 Fe0.9999 O5 Ti0.9999 -","- Al3.9996 Fe3.9996 O20 Ti3.9996 -","4","0.25","","Tiedemann, P; Mueller-Buschbaum, Hk","Zum Problem der Metallverteilung in Pseudobrookiten: Fe Al Ti O5 und Fe2 Ti O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","494","","98","102","10.1002/zaac.19824940112","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002302","3.739","","9.779","","9.978","","90","","90","","90","","364.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Diiron(III) titanium oxide","","- Fe2 O5 Ti -","- Fe2.0001 O5 Ti0.9999 -","- Fe8.0004 O20 Ti3.9996 -","4","0.25","","Tiedemann, P; Mueller-Buschbaum, Hk","Zum Problem der Metallverteilung in Pseudobrookiten: Fe Al Ti O5 und Fe2 Ti O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","494","","98","102","10.1002/zaac.19824940112","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002308","3.732","","9.718","","10.069","","90","","90","","90","","365.2","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cobalt dititanate","","- Co O5 Ti2 -","- Co O5 Ti2 -","- Co4 O20 Ti8 -","4","0.25","","Mueller-Buschbaum, Hk; Waburg, M","Pseudobrookite mit weitgehend geordneter Metallverteilung Co Ti2 O5, Mg Ti2 O5 und Fe Ti2 O5","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","21","25","","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002309","3.581","","16.362","","3.915","","90","","90","","90","","229.4","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Strontium nickel oxide","","- Ni O2 Sr -","- Ni O2 Sr -","- Ni4 O8 Sr4 -","4","0.25","","Pausch, H; Mueller-Buschbaum, Hk","Praeparation von Sr Ni O2-Einkristallen mit eben koordiniertem Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","426","","184","188","10.1002/zaac.19764260207","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002318","3.756","","9.812","","10.093","","90","","90","","90","","372","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Iron dititanium oxide","","- Fe O5 Ti2 -","- Fe O5 Ti2 -","- Fe4 O20 Ti8 -","4","0.25","","Mueller-Buschbaum, Hk; Waburg, M","Pseudobrookite mit weitgehend geordneter Metallverteilung: Co Ti2 O5, Mg Ti2 O5 und Fe Ti2 O5","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","21","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002319","3.745","","9.728","","9.99","","90","","90","","90","","363.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Magnesium dititanium oxide","Armalcolite","- Mg O5 Ti2 -","- Mg O5 Ti2 -","- Mg4 O20 Ti8 -","4","0.25","","Mueller-Buschbaum, Hk; Waburg, M","","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","21","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002591","13.2751","0.0033","5.782","0.0015","11.3961","0.0022","90","","90","","90","","874.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Tetrabarium dioxoargentate tetraoxoaurate","","- Ag Au Ba4 O6 -","- Ag Au Ba4 O6 -","- Ag4 Au4 Ba16 O24 -","4","0.25","","Weinreich, J; Mueller-Buschbaum, Hk","Zur Kenntnis eines Oxoargentato(I)-aurats(III):Ba4 Ag Au O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","27","30","10.1002/zaac.19926170105","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002682","5.9213","0.0007","9.065","0.004","6.635","0.002","90","","90","","90","","356.1","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Copper(I) cadmium vanadate","","- Cd Cu O4 V -","- Cd Cu O4 V -","- Cd4 Cu4 O16 V4 -","4","0.25","","Feldmann, J; Muenchau, S; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung des Kupfer-Cadmium-Oxovanadats Cu Cd V O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","871","874","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002942","7.85758","0.00003","7.86793","0.00003","7.8765","0.0003","90","","90","","90","","486.948","0.019","813","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","0.5","BM0015","Darlington, C. N. W.; Knight, K. S.","High-temperature phases of NaNbO~3~ and NaTaO~3~","Acta Crystallographica Section B","1999","55","1","24","30","10.1107/S010876819800963X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","198388","2020-10-21","18:00:00",""
"2002943","7.83729","0.00004","7.84887","0.00004","7.85728","0.00004","90","","90","","90","","483.332","0.004","803","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Na O3 Ta -","- Na O3 Ta -","- Na8 O24 Ta8 -","8","0.5","BM0015","Darlington, C. N. W.; Knight, K. S.","High-temperature phases of NaNbO~3~ and NaTaO~3~","Acta Crystallographica Section B","1999","55","1","24","30","10.1107/S010876819800963X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","198486","2020-10-21","18:00:00",""
"2004362","7.4251","0.0008","12.79","0.003","13.723","0.002","90","","90","","90","","1303.2","0.4","292","","292","","","","","","","","","6","C m c m","-C 2c 2","63","Neodymium cobalt hexacyanide tetrahydrate","Neodymium hexacyanocobaltate (III) tetrahydrate","","- C6 H8 Co N6 Nd O4 -","- C6 Co N6 Nd O4 -","- C24 Co4 N24 Nd4 O16 -","4","0.25","BR1115","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Neodymium Hexacyanocobaltate(III) Tetrahydrate","Acta Crystallographica Section C","1996","52","1","61","63","10.1107/S0108270195010316","","","0.71073","MoKα","","0.024","0.022","","0.214","0.038","","","","","1.301","1.301","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005132","10.741","0.002","20.532","0.004","8.776","0.002","90","","90","","90","","1935.4","0.7","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3-diaminopropane(diiodo)platinum(IV) Diiodide Dihydrate","","- C6 H24 I4 N4 O2 Pt -","- C6 H24 I4 N4 O2 Pt -","- C24 H96 I16 N16 O8 Pt4 -","4","0.25","JZ1105","Pajunen, A.; Oksanen, A.; Leskelä, M.","Bis(1,3-diaminopropane)diiodoplatinum(IV) Diiodide Dihydrate","Acta Crystallographica Section C","1996","52","7","1643","1645","10.1107/S0108270196002235","","","0.71073","MoKα","","0.055","0.0328","","0.0788","0.0741","","","","0.923","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005762","3.6687","0.0015","12.385","0.007","10.147","0.005","90","","90","","90","","461","0.4","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 Fe3 Si4 -","- Al2 Fe3 Si4 -","- Al8 Fe12 Si16 -","4","0.25","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.065","0.061","","0.039","0.039","","","","1.638","1.685","1.685","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006389","8.468","0.0014","11.1997","0.0007","6.822","0.0009","90","","90","","90","","646.99","0.14","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","1,3-dimethylimidazole-2-thione","1,3-dimethyl-2(3H)-imidazolethione","","- C5 H8 N2 S -","- C5 H8 N2 S -","- C20 H32 N8 S4 -","4","0.25","HA1189","Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade","Redetermination of 1,3-Dimethylimidazole-2-thione","Acta Crystallographica Section C","1997","53","8","1153","1154","10.1107/S0108270197004198","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007237","9.2753","0.0006","11.3756","0.0008","21.72","0.002","90","","90","","90","","2291.7","0.3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol) Copper(II) Dichloride Tetrahydrate","","- C12 H38 Cl2 Cu N6 O10 -","- C12 H38 Cl2 Cu N6 O10 -","- C48 H152 Cl8 Cu4 N24 O40 -","4","0.25","JZ1250","Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate","Acta Crystallographica Section C","1998","54","5","614","616","10.1107/S0108270197018131","","","0.71073","MoKα","","0.0485","0.0273","","","","0.0586","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009162","3.3504","0.0003","5.8341","0.0007","12.07","0.005","90","","90","","90","","235.93","0.1","296.2","","295","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Fe0.33 In O3.33 Ti0.67 -","- Fe0.33 In O3.33 Ti0.67 -","- Fe1.32 In4 O13.32 Ti2.68 -","4","0.25","OH1115","Michiue, Yuichi; Brown, Francisco; Kimizuka, Noboru; Watanabe, Mamoru; Orita, Masahiro; Ohta, Hiromichi","Orthorhombic InFe~0.33~Ti~0.67~O~3.33~","Acta Crystallographica Section C","1999","55","11","1755","1757","10.1107/S0108270199009038","","","0.7107","MoKα","","0.0508","0.0323","","0.0569","","0.0569","","","3.957","","","3.957","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009229","9.288","0.0006","7.418","0.0007","9.383","0.0004","90","","90","","90","","646.47","0.08","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Trierbium digallide trigermanide","Trierbium digallide trigermanide","","- Er3 Ga2.21 Ge2.79 -","- Er3 Ga2.213 Ge2.787 -","- Er12 Ga8.852 Ge11.148 -","4","0.25","BR1251","Richard Welter; Gerard Venturini","Trierbium digallide trigermanide","Acta Crystallographica Section C","1999","55","12","1969","1970","10.1107/S0108270199010501","","","0.5609","AgKα","","0.026","0.02","","","","0.054","","","","","","0.704","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010165","3.719","0.001","12.395","0.002","34.147","0.005","90","","90","","90","","1574.1","0.5","293","","","","","","","","","","","3","C m c m","-C 2c 2","","","","","- Fe2 S11 Yb6 -","- S11 Yb8 -","- S44 Yb32 -","4","0.25","DU1060","Chaqour, S.M.; Tomas, A.; Lemoine, P.; Palazzi, M.; Guittard, M.","l'Undecasulfure de difer et d'hexaytterbium, Fe~2~Yb~6~S~11~","Acta Crystallographica Section C","1994","50","11","1655","1657","10.1107/S0108270194000971","","","0.71069","MoKα","","","0.0534","","","0.0532","","","","","1.77","1.77","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010306","7.373","0.002","7.546","0.003","10.579","0.003","90","","90","","90","","588.6","0.3","299","","299","","","","","","","","","4","C m c m","-C 2c 2","63","glycoluril","tetrahydroimidazo [4,5-d] imidazole-2,5 (1H, 3H)-dione","","- C4 H6 N4 O2 -","- C4 H6 N4 O2 -","- C16 H24 N16 O8 -","4","0.25","KA1088","Xu, Shimin; Gantzel, Peter K.; Clark, Leigh B.","Glycoluril","Acta Crystallographica Section C","1994","50","12","1988","1989","10.1107/S0108270194006955","","","0.71073","MoKα","","0.0479","0.0405","","0.1246","0.1163","","","","1.081","1.114","1.114","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010335","11.519","0.003","13.456","0.003","5.974","0.001","90","","90","","90","","926","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Ba3 F7 O3 Sc -","- C Ba3 F7 O3 Sc -","- C4 Ba12 F28 O12 Sc4 -","4","0.25","","N. Mercier; Marc Leblanc","A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~","Acta Crystallographica Section C","1994","50","","1862","1864","","","","","","","","0.0248","","","0.0659","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2011876","12.538","0.004","16.239","0.006","7.866","0.005","90","","90","","90","","1601.6","1.3","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","Pentacarbonyl(4-phenylpyridine)tungsten(0)","","- C16 H9 N O5 W -","- C16 H9 N O5 W -","- C64 H36 N4 O20 W4 -","4","0.25","GD1123","Creaven, Bernadette S.; Howie, R. Alan; .; Long, Conor; .","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.037","0.032","","","","0.072","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012854","6.6027","0.001","8.9552","0.001","16.844","0.002","90","","90","","90","","996","0.2","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Potassium closo-13-oxopentamolybdate","","- K Mo5 O13 -","- K Mo5 O13 -","- K4 Mo20 O52 -","4","0.25","BR1369","Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad","KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~","Acta Crystallographica Section C","2002","58","8","i106","i108","10.1107/S0108270102007886","","","0.71073","MoKα","","0.043","0.037","","","0.094","0.1","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012855","6.697","0.001","9.027","0.001","17.047","0.002","90","","90","","90","","1030.6","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium niobium antimony oxide (1/1.76/3.24)","","- K Nb1.76 O13 Sb3.24 -","- K Nb1.76 O13 Sb3.24 -","- K4 Nb7.04 O52 Sb12.96 -","4","0.25","BR1369","Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad","KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~","Acta Crystallographica Section C","2002","58","8","i106","i108","10.1107/S0108270102007886","","","0.71069","MoKα","","0.028","0.023","","","0.07","0.072","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013503","10.0096","0.0004","7.1396","0.0002","24.2841","0.0008","90","","90","","90","","1735.45","0.1","150","1","150","1","","","","","","","","5","C m c m","-C 2c 2","63","","Hexamethylenetetramine‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C18 H22 Fe N4 O4 -","- C18 H22 Fe N4 O4 -","- C72 H88 Fe4 N16 O16 -","4","0.25","SK1641","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>","Acta Crystallographica Section C","2003","59","7","m271","m274","10.1107/S010827010301031X","","","0.71073","MoKα","","0.0454","0.0316","","","0.0663","0.0729","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013527","7.4019","0.0011","12.762","0.003","14.2535","0.0011","90","","90","","90","","1346.4","0.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H4 Ho K N6 O2 Ru -","- C6 H8 Ho K N6 O4 Ru -","- C24 H32 Ho4 K4 N24 O16 Ru4 -","4","0.25","TA1406","Kautz, Jason A.; Symes, R. Cameron","Polymeric potassium diaquahexa-μ-cyano-holmium(III)ruthenium(II) dihydrate","Acta Crystallographica Section C","2003","59","9","i89","i91","10.1107/S0108270103013350","","","0.71073","MoKα","","0.0215","0.018","","","0.0401","0.041","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013695","9.968","0.0013","7.972","0.0017","10.056","0.002","90","","90","","90","","799.1","0.3","293","1","293","1","","","","","","","","3","C m c m","-C 2c 2","63","","Trisamarium digallide tristannide","","- Ga1.89 Sm3 Sn3.11 -","- Ga1.893 Sm3 Sn3.107 -","- Ga7.572 Sm12 Sn12.428 -","4","0.25","SQ1031","Tokaychuk, Yaroslav O.; Filinchuk, Yaroslav E.; Fedorchuk, Anatoliy O.; Bodak, Oksana I.","Partial Sn-atom ordering in Sm~3~Ga~0.80{‒~2.48}Sn~4.20{‒~2.52}","Acta Crystallographica Section C","2003","59","12","i125","i127","10.1107/S0108270103024776","","","0.71069","MoKα","","0.031","0.024","","","0.052","0.053","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013915","7.3868","0.0003","17.1107","0.0007","7.9848","0.0004","90","","90","","90","","1009.23","0.08","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Cesium aquapentachlorochromate(III)","","- Cl5 Cr Cs2 H2 O -","- Cl5 Cr Cs2 O -","- Cl20 Cr4 Cs8 O4 -","4","0.25","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.0749","0.0498","","","0.1355","0.1508","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014325","5.1761","0.0004","13.9774","0.0011","16.8689","0.0014","90","","90","","90","","1220.44","0.17","298","2","298","1","","","","","","","Hagendorf pegmatite, Bavaria, Germany","6","C m c m","-C 2c 2","","","iron manganese zinc tris(phosphate) pentahydroxide","Frondelite","- Fe4.32 H5 Mn0.62 O17 P3 Zn0.06 -","- Fe4.32 H3 Mn0.62 O17 P3 Zn0.06 -","- Fe17.28 H12 Mn2.48 O68 P12 Zn0.24 -","4","0.25","FA1177","Redhammer, Günther J.; Roth, Georg; Tippelt, Gerold; Bernroider, Manfred; Lottermoser, Werner; Amthauer, Georg; Hochleitner, Rupert","Manganoan rockbridgeite Fe~4.32~Mn~0.62~Zn~0.06~(PO~4~)~3~(OH)~5~: structure analysis and ^57^Fe Mössbauer spectroscopy","Acta Crystallographica Section C","2006","62","3","i24","i28","10.1107/S0108270106002472","","","0.71073","MoKα","","","0.039","","","","0.078","","","","","","1.393","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2014539","7.492","0.0001","12.9293","0.0001","13.7904","0.0001","90","","90","","90","","1335.83","0.02","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Diaquahexa-μ-cyano-ferrate(III)praseodymium(III) dihydrate","","- C6 H8 Fe N6 O4 Pr -","- C6 H8 Fe N6 O4 Pr -","- C24 H32 Fe4 N24 O16 Pr4 -","4","0.25","SK1764","Langer, Vratislav; Smrčok, Ľubomír; Masuda, Yoshio","Pseudo-merohedrally twinned praseodymium hexacyanoferrate(III) tetrahydrate","Acta Crystallographica Section C","2004","60","11","i104","i106","10.1107/S010827010402092X","","","0.71073","MoKα","","0.0176","0.0168","","","0.0383","0.0388","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014618","6.1446","0.0009","6.3798","0.0012","7.3755","0.0019","90","","90","","90","","289.13","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","potassium chlorite","potassium chlorate(III)","","- Cl K O2 -","- Cl K O2 -","- Cl4 K4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.0341","0.0295","","","0.0728","0.0742","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015882","17.176","0.002","8.2272","0.001","5.8996","0.0007","90","","90","","90","","833.67","0.17","295","2","","","","","","","","","","4","C m c m","-C 2c 2","63","","Copper(I,II) pentachromium(III) germanate","","- Cr4.56 Cu1.44 Ge2 O12 -","- Cr4.559 Cu1.441 Ge2 O12 -","- Cr18.236 Cu5.764 Ge8 O48 -","4","0.25","BC3029","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Cu(Cu~0.44~Cr~4.56~)Ge~2~O~12~: a close-packed oxide with CuO~4~ tetrahedra","Acta Crystallographica Section C","2007","63","4","i21","i24","10.1107/S0108270107005355","","","0.71073","MoKα","","","0.0238","","","","0.0526","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015940","7.12899","0.00002","7.93194","0.00003","7.17658","0.00002","90","","90","","90","","405.812","0.002","4.5","","","","","","","","","","","4","C m c m","-C 2c 2","63","dimethyl sulfone","Perdeuterodimethyl sulfone","","- C2 D6 O2 S -","- C2 D6 O2 S -","- C8 D24 O8 S4 -","4","0.25","FA3079","Ibberson, R. M.","Neutron powder diffraction study of perdeuterodimethyl sulfone","Acta Crystallographica Section C","2007","63","5","o292","o294","10.1107/S0108270107012164","","neutron","","time-of-flightneutron","","","","","","","","","","1.98","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016137","7.009","0.002","14.148","0.004","6.656","0.002","90","","90","","90","","660","0.3","85","2","85","2","","","","","","","","5","C m c m","-C 2c 2","63","","Calcium chloride rhenate(VII) dihydrate","","- Ca Cl H4 O6 Re -","- Ca Cl H4 O6 Re -","- Ca4 Cl4 H16 O24 Re4 -","4","0.25","FA3099","Jarek, Urszula; Hołyńska, Małgorzata; Ślepokura, Katarzyna; Lis, Tadeusz","Calcium chloride rhenate(VII) dihydrate","Acta Crystallographica Section C","2007","63","9","i77","i79","10.1107/S0108270107037456","","","0.71073","MoKα","","0.0176","0.0155","","","0.0368","0.0373","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016533","9.8804","0.0008","6.654","0.0007","18.3908","0.0012","90","","90","","90","","1209.09","0.18","213","2","213","2","","","","","","","","4","C m c m","-C 2c 2","63","","1,4,5,8-Tetramethylpyridazino[4,5-<i>d</i>]pyridazine trihydrate","","- C10 H18 N4 O3 -","- C10 H18 N4 O3 -","- C40 H72 N16 O12 -","4","0.25","BM3049","Zhylenko, Iryna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Hydrate frameworks involving the pyridazino[4,5-<i>d</i>]pyridazine unit as a multiple hydrogen-bond acceptor","Acta Crystallographica Section C","2008","64","4","o237","o241","10.1107/S0108270108007117","","","0.71073","MoKα","","0.0427","0.0398","","","0.1071","0.1092","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016692","6.9287","0.001","7.2735","0.0013","7.3503","0.0013","90","","90","","90","","370.42","0.11","293","2","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium iodine(V) oxyfluoride","","- F2 I Na O2 -","- F2 I Na O2 -","- F8 I4 Na4 O8 -","4","0.25","SQ3127","Laval, Jean-Paul; Jennene Boukharrata, Nefla","Sodium iodine(V) oxyfluoride, NaIO~2~F~2~","Acta Crystallographica Section C","2008","64","7","i47","i49","10.1107/S0108270108007087","","","0.71073","MoKα","","0.0105","0.0098","","","0.023","0.0233","","","","","","0.745","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016829","7.5228","0.001","13.8222","0.0018","30.755","0.004","90","","90","","90","","3198","0.7","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","2,4,6-trifluorobenzonitrile","","- C7 H2 F3 N -","- C7 H2 F3 N -","- C140 H40 F60 N20 -","20","1.25","FN3002","Britton, Doyle","2,4,6-Trifluorobenzonitrile","Acta Crystallographica Section C","2008","64","11","o583","o585","10.1107/S0108270108031739","","","0.71073","MoKα","","0.0454","0.0399","","","0.1222","0.1269","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017893","24.0265","0.0016","8.7253","0.0006","19.4746","0.0013","90","","90","","90","","4082.6","0.5","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]","","- C18 H58 Nd2 O33 -","- C18 H58 Nd2 O33 -","- C72 H232 Nd8 O132 -","4","0.25","GD3367","Zehnder, Ralph A.; Fontaine, Nick C.; Zeller, Matthias; Renn, Robert A.","Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]","Acta Crystallographica Section C","2010","66","12","m371","m374","10.1107/S0108270110044872","","","0.71073","MoKα","","0.0337","0.0286","","","0.0784","0.083","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017951","14.27366","0.00009","11.75678","0.00007","7.19753","0.00004","90","","90","","90","","1207.83","0.012","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","","distrontium dimagnesium pentadecaoxidotetraphosphate","","- Mg2.64 O15 P4 Sr2.36 -","- Mg2.643 O15 P4 Sr2.357 -","- Mg10.572 O60 P16 Sr9.428 -","4","0.25","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0276","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018417","4.152","0.0008","12.603","0.003","11.657","0.002","90","","90","","90","","610","0.2","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","pentanickel tetratin zinc","","- Ni3.17 Sn2.67 Zn0.67 -","- Ni3.16 Sn2.66667 Zn0.666667 -","- Ni18.96 Sn16 Zn4 -","6","0.375","KU3063","Schmetterer, Clemens; Effenberger, Herta Silvia; Marker, Martin C. J.; Flandorfer, Hans","Ni~5-{δ~}Sn~4~Zn (δσim 0.25) from single-crystal data","Acta Crystallographica Section C","2012","68","3","i9","i11","10.1107/S0108270112000455","","","0.71073","MoKα","","0.0318","0.0258","","","0.0666","0.0705","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018489","6.34","0.002","10.312","0.003","6.122","0.002","90","","90","","90","","400.2","0.2","296.2","","296.2","","","","","","","","","2","C m c m","-C 2c 2","63","","lanthanum tetrazinc","","- La Zn4 -","- La Zn4 -","- La4 Zn16 -","4","0.25","BI3038","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Griffin, Alexandra","Lanthanum tetrazinc, LaZn~4~","Acta Crystallographica Section C","2012","68","6","i37","i40","10.1107/S0108270112020367","","","0.71073","MoKα","","0.0435","0.0432","","","0.1119","0.112","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018604","11.7374","0.001","11.6511","0.001","7.5484","0.0008","90","","90","","90","","1032.27","0.17","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-chlorido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Cd Cl2 N4 -","- C8 H6 Cd Cl2 N4 -","- C32 H24 Cd4 Cl8 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0328","0.0285","","","0.0717","0.0734","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018605","11.7549","0.0008","11.9619","0.0008","7.869","0.0006","90","","90","","90","","1106.47","0.14","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-bromido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Br2 Cd N4 -","- C8 H6 Br2 Cd N4 -","- C32 H24 Br8 Cd4 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.025","0.0238","","","0.0611","0.0615","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018984","12.432","0.004","7.587","0.003","12.507","0.004","90","","90","","90","","1179.7","0.7","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentacadmium tetraarsenide","Dirubidium pentacadmium tetraarsenide","","- As4 Cd5 Rb2 -","- As4 Cd5 Rb2 -","- As16 Cd20 Rb8 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0318","0.0214","","","0.0406","0.0431","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018985","12.3975","0.0011","7.5516","0.0007","12.4514","0.0011","90","","90","","90","","1165.71","0.18","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentazinc tetraantimonide","Dirubidium pentazinc tetraantimonide","","- Rb2 Sb4 Zn5 -","- Rb2 Sb4 Zn5 -","- Rb8 Sb16 Zn20 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.021","0.0182","","","0.0375","0.0387","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018986","12.6086","0.0011","7.6761","0.0006","12.6232","0.0011","90","","90","","90","","1221.73","0.18","200","2","200","2","","","","","","","","4","C m c m","-C 2c 2","63","","Dirubidium pentacadmium tetra(arsenide/antimonide)","","- As3 Cd5 Rb2 Sb -","- As3.004 Cd5 Rb2 Sb0.996 -","- As12.016 Cd20 Rb8 Sb3.984 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0148","0.0132","","","0.026","0.0264","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019203","8.4341","0.0013","12.445","0.002","9.6449","0.0015","90","","90","","90","","1012.4","0.3","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium ytterbium tetraborohydride","","- B4 H16 K Yb -","- B4 H16 K Yb -","- B16 H64 K4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0204","0.0204","","0.0235","0.0235","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019204","8.438","0.004","12.057","0.006","9.057","0.004","90","","90","","90","","921.4","0.8","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium ytterbium tetraborohydride","","- B4 H16 Na Yb -","- B4 H16 Na Yb -","- B16 H64 Na4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0156","0.0156","","0.019","0.019","","","","2.25","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019526","14.2567","0.0006","10.4542","0.0004","16.0386","0.0005","90","","90","","90","","2390.43","0.16","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[[diaquadi-μ-chlorido-μ-(1,4,7,10,13,16-hexaoxacyclooctadecane)-dicaesium(I)] dihydrate]","","- C12 H32 Cl2 Cs2 O10 -","- C12 H32 Cl2 Cs2 O10 -","- C48 H128 Cl8 Cs8 O40 -","4","0.25","SK3535","van Well, Natalija; Klein, Christian; Ritter, Franz; Assmus, Wolf; Krellner, Cornelius; Bolte, Michael","Two crown-ether-coordinated caesium halogen salts","Acta Crystallographica Section C","2014","70","5","455","459","10.1107/S2053229614006809","","","0.71073","MoKα","","0.0305","0.0304","","","0.0827","0.0827","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020341","3.9812","","9.688","","13.111","","90","","90","","90","","505.69","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sc3 Ni2 Si3","","- Ni2 Sc3 Si3 -","- Ni2 Sc3 Si3 -","- Ni8 Sc12 Si12 -","4","0.25","","Zhao, J.T.; Parthe, E.","Sc3 Ni2 Si3 with Hf3 Ni2 Si3-type structure, an intergrowth of Cr B-, Th Cr2 Si2- and W-type slabs","Acta Crystallographica C (39,1983-)","1989","45","","1853","1856","","","","","","","","","","","","","","","","","","","","","","has coordinates","171890","2020-10-21","18:00:00",""
"2020662","8.7623","0.001","5.0703","0.0007","13.2505","0.0011","90","","90","","90","","588.69","0.12","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- H0 K1.5 Mg2 O7 Si2 -","- K1.5 Mg2 O7 Si2 -","- K6 Mg8 O28 Si8 -","4","0.25","","Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J.","Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth","Acta Crystallographica Section B","2016","72","6","822","827","10.1107/S2052520616014049","","x-ray","0.71069","MoKα","","0.146","0.0688","","","0.0826","0.1068","","","","2","2","1.59","","","","has coordinates","188932","2020-10-21","18:00:00",""
"2020959","7.1626","0.0011","10.351","0.002","5.6038","0.0008","90","","90","","90","","415.47","0.12","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium chloride trihydrate","","- Cl H6 Li O3 -","- Cl H6 Li O3 -","- Cl4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0141","0.0127","","","0.0326","0.0334","","","","","","1.024","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020960","7.2785","0.0017","11.088","0.003","5.687","0.002","90","","90","","90","","459","0.2","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium bromide trihydrate","","- Br H6 Li O3 -","- Br H6 Li O3 -","- Br4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0278","0.0275","","","0.0728","0.073","","","","","","1.019","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2021610","3.92672","0.00005","12.9632","0.0002","10.0974","0.0001","90","","90","","90","","513.987","0.011","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium erbium copper trisulfide","","- Cu Er S3 Sr -","- Cu Er S3 Sr -","- Cu4 Er4 S12 Sr4 -","4","0.25","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.02603","","","","","","","","3.62695","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021612","3.91105","0.00004","12.9504","0.0001","10.0206","0.0001","90","","90","","90","","507.54","0.008","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium lutetium copper trisulfide","","- Cu Lu S3 Sr -","- Cu Lu S3 Sr -","- Cu4 Lu4 S12 Sr4 -","4","0.25","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.01272","","","","","","","","3.41375","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021792","6.6108","0.0003","7.3958","0.0004","16.9678","0.0011","90","","90","","90","","829.59","0.08","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]","","- C6 H8 Mn N2 O4 S -","- C6 H8 Mn N2 O4 S -","- C24 H32 Mn4 N8 O16 S4 -","4","0.25","LG3241","Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw","Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine","Acta Crystallographica Section C","2019","75","11","","","10.1107/S205322961901180X","powder diffraction","x-ray","1.5418","CuKα","","0.0409","0.038","","0.0382","0.0379","","","","1.98","","","","","","","has coordinates,has Fobs","219176","2020-10-21","18:00:00",""
"2022139","8.7198","0.0014","15.095","0.003","7.0716","0.0011","90","","90","","90","","930.8","0.3","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","4,6-Dimethyl-2-pyrimidothionium iodide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 S -","- C6 H9 I N2 S -","- C24 H36 I4 N8 S4 -","4","0.25","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.027","0.0245","","","0.0593","0.0599","","","","","","1.072","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2100597","13.062","0.004","6.62","0.002","6.817","0.002","90","","90","","90","","589.5","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H K2 N3 O3 -","- C3 H K2 N3 O3 -","- C12 H4 K8 N12 O12 -","4","0.25","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","","0.71073","MoKα","","0.0275","0.0243","","","0.0617","0.0639","","","","","","1.148","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100793","10.173","0.001","7.834","0.001","5.1374","0.0007","90","","90","","90","","409.43","0.09","","","","","","","","","","","","3","C m c m","-C 2c 2","","","","","- Al3 La Ni2 -","- Al3 La Ni2 -","- Al12 La4 Ni8 -","4","0.25","DU0308","Gladyshevskii, R. E.; Cenzual, K.; Parthé, E.","LaNi~2~Al~3~, a ternary substitution variant of the orthorhombic BaZn~5~ type","Acta Crystallographica Section B","1992","48","4","389","392","10.1107/S0108768192001502","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101159","7.6559","0.0008","6.4154","0.0006","4.2184","0.0004","90","","90","","90","","207.19","0.04","","","","","","","","","","","","2","C m c m","-C 2c 2","","","","","- Al5 Fe2 -","- Al10 Fe2 -","- Al20 Fe4 -","2","0.125","SE0133","Burkhardt, U.; Grin, Yu.; Ellner, M.; Peters, K.","Structure refinement of the iron‒aluminium phase with the approximate composition Fe~2~Al~5~","Acta Crystallographica Section B","1994","50","3","313","316","10.1107/S0108768193013989","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101602","18.142","0.005","9.361","0.002","6.659","0.001","90","","90","","90","","1130.9","0.4","295","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C12 H8 N4 Pt -","- C12 H8 N4 Pt -","- C48 H32 N16 Pt4 -","4","0.25","BK0031","Connick, W. B.; Henling, L. M.; Marsh, R. E.","A revision of the structure of (bipyridyl-<i>N</i>,<i>N</i>')-dicyanoplatinum(II)","Acta Crystallographica Section B","1996","52","5","817","822","10.1107/S0108768196002674","","","0.71073","MoKα","","","0.0453","","","0.072","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101898","7.913","0.001","7.837","0.002","11.798","0.003","90","","90","","90","","731.6","0.3","18","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.032","","","0.037","","","","","1.182","1.182","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101899","7.973","0.001","7.857","0.001","11.777","0.002","90","","90","","90","","737.76","0.18","78","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.032","","","0.035","","","","","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101900","8.1","0.001","7.902","0.001","11.739","0.002","90","","90","","90","","751.37","0.18","158","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.047","","","0.045","","","","","1.103","1.103","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102533","11.0341","0.001","16.814","0.002","10.844","0.001","90","","90","","90","","2011.9","0.4","0","","","","","","","","","","","6","C m c m","-C 2c 2","63","","mer,trans-Trichloro-phenylimido-bis(trimethylphosphine)-rhenium","","- C12 H23 Cl3 N P2 Re -","- C12 H23 Cl3 N P2 Re -","- C48 H92 Cl12 N4 P8 Re4 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199781","2020-10-21","18:00:00",""
"2102534","11.2624","","9.711","","25.998","","90","","90","","90","","2843.38","","0","","","","","","","","","","","3","C m c m","-C 2c 2","63","","mu!3$-eta$4!,eta$4!-Buta-1,3-dien-1,4-diyl)-(mu!2$-hydrido)-tris (eta$4!-cyclo-octa-1,5-diene)-tri-iridium","","- C12 H13 Ir3 -","- C12 Ir3 -","- C48 Ir12 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102789","4.21616","0.00013","11.023","0.0004","7.2951","0.0003","90","","90","","90","","339.04","0.02","","","358","","","","","","","","","4","C m c m","-C 2c 2","63","Magnesium chloride hydrate","Magnesium chloride tetrahydrate","","- Cl2 H8 Mg O4 -","- Cl2 Mg O4 -","- Cl4 Mg2 O8 -","2","0.125","KD5011","Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson","Structures of three dehydration products of bischofite from <i>in situ</i> synchrotron powder diffraction data (MgCl~2~·<i>n</i>H~2~O; <i>n</i> = 1, 2, 4)","Acta Crystallographica Section B","2007","63","2","235","242","10.1107/S0108768107002558","","","0.92187","synchrotron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103097","6.6154","0.0006","12.0639","0.001","6.0263","0.0005","90","","90","","90","","480.944","","298","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C2 H14 Fe2 N2 O11 -","- C H6 Fe N O5 -","- C4 H24 Fe4 N4 O20 -","4","0.25","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103734","4.6103","0.00003","16.4621","0.0003","14.6751","0.0002","90","","90","","90","","1113.77","0.03","298","","295","","","","","","","","","3","C m c m","-C 2c 2","63","","pentamethylcyclopentadienylsodium","","- C10 H15 Na -","- C12.5 Na -","- C50 Na4 -","4","0.25","NA0125","Tedesco, Consiglia; Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander","Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction","Acta Crystallographica Section B","2001","57","5","673","679","10.1107/S010876810101237X","","","0.491213","","","","","","","","","","","0.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104019","8.2699","0.00011","11.0102","0.0003","8.16917","0.00011","90","","90","","90","","743.83","0.02","295","","295","","","","","","","","","4","C m c m","-C 2c 2","63","Potasium bis(oxalato)borate","Potasium bis(oxalato)borate","","- C4 B K O8 -","- C4 B K O8 -","- C16 B4 K4 O32 -","4","0.25","TA5002","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structures of potassium, sodium and lithium bis(oxalato)borate salts from powder diffraction data","Acta Crystallographica Section B","2003","59","6","753","759","10.1107/S0108768103022602","","","1.54056","CuKα~1~","","","","","","","","","","2.45","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104020","8.12756","0.00008","10.3399","0.0002","7.82108","0.0001","90","","90","","90","","657.269","0.017","295","","295","","","","","","","","","4","C m c m","-C 2c 2","63","Sodium bis(oxalato)borate","Sodium bis(oxalato)borate","","- C4 B Na O8 -","- C4 B Na O8 -","- C16 B4 Na4 O32 -","4","0.25","TA5002","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structures of potassium, sodium and lithium bis(oxalato)borate salts from powder diffraction data","Acta Crystallographica Section B","2003","59","6","753","759","10.1107/S0108768103022602","","","1.54056","CuKα~1~","","","","","","","","","","3.26","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104210","3.2465","0.0009","19.64","0.005","24.783","0.006","90","","90","","90","","1580.2","0.7","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga2 O9 Zn6 -","- Ga2 O9 Zn6 -","- Ga16 O72 Zn48 -","8","0.5","KD5022","Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi","Structure of Ga~2~O~3~(ZnO)~6~: a member of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i>","Acta Crystallographica Section B","2008","64","5","521","526","10.1107/S0108768108021125","","","0.71069","MoKα","","0.1812","0.0452","","","0.071","0.1005","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104217","15.18","0.003","11.827","0.002","8.375","0.002","90","","90","","90","","1503.6","0.5","295","0.2","295","0.2","","","","","","","","5","C m c m","-C 2c 2","63","","bis-thiourea pyridinium iodide","","- C7 H14 I N5 S2 -","- C8 H8 I N4 S2 -","- C32 H32 I4 N16 S8 -","4","0.25","WS5061","Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J.","Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide ‒ a new ferroelectric inclusion compound","Acta Crystallographica Section B","2008","64","5","567","572","10.1107/S0108768108018223","","","0.71073","MoKαlpha","","0.0431","0.0286","","","0.0788","0.0904","","","","","","0.737","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104223","5.941","0.0004","14.4206","0.001","7.1456","0.0005","90","","90","","90","","612.18","0.07","297","2","297","2","","","","","","","","4","C m c m","-C 2c 2","63","ammonium dioxotetrafluorotungstate","ammonium dioxotetrafluorotungstate","","- F4 N2 O2 W -","- F4 N2 O2 W0.9999 -","- F16 N8 O8 W3.9996 -","4","0.25","BP5013","Udovenko, Anatoly A.; Laptash, Natalia M.","Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~","Acta Crystallographica Section B","2008","64","6","645","651","10.1107/S0108768108033053","","","0.71073","MoKα","","0.0231","0.02","","","0.0441","0.045","","","","","","1.128","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104255","18.04416","0.00006","20.40681","0.00006","7.49986","0.00002","90","","90","","90","","2761.63","0.014","90","","90","","","","","","","","","7","C m c m","-C 2c 2","63","(dmpNA-MOR)","","","- C0.97 H1.21 Al0.375 N0.24 Na0.33 O6.24 Si2.625 -","- C0.96912 H1.2114 N0.24228 Na0.327 O6.24228 Si3 -","- C15.5059 H19.3824 N3.87648 Na5.232 O99.8765 Si48 -","16","1","CK5032","Porcher, Florence; Borissenko, Elena; Souhassou, Mohamed; Takata, Masaki; Kato, Kenichi; Rodriguez-Carvajal, Juan; Lecomte, Claude","Synchrotron powder diffraction characterization of the zeolite-based (<i>p</i>-<i>N</i>,<i>N</i>-dimethylnitroaniline‒mordenite) guest‒host phase","Acta Crystallographica Section B","2008","64","6","713","724","10.1107/S0108768108025287","","","1.00171","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104256","18.08155","0.00005","20.41153","0.00005","7.501445","0.000016","90","","90","","90","","2768.57","0.012","300","","300","","","","","","","","","7","C m c m","-C 2c 2","63","(dmpNA-MOR)","","","- C0.97 H1.21 Al0.375 N0.24 Na0.33 O6.24 Si2.625 -","- C0.96224 H1.2028 N0.24056 Na0.3516 O6.24056 Si3 -","- C15.3958 H19.2448 N3.84896 Na5.6256 O99.849 Si48 -","16","1","CK5032","Porcher, Florence; Borissenko, Elena; Souhassou, Mohamed; Takata, Masaki; Kato, Kenichi; Rodriguez-Carvajal, Juan; Lecomte, Claude","Synchrotron powder diffraction characterization of the zeolite-based (<i>p</i>-<i>N</i>,<i>N</i>-dimethylnitroaniline‒mordenite) guest‒host phase","Acta Crystallographica Section B","2008","64","6","713","724","10.1107/S0108768108025287","","","1.00171","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104471","4.066","0.0004","23.305","0.003","17.13","0.002","90","","90","","90","","1623.2","0.3","293","1","293","1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Bi6.889 Br4.778 Ni2 -","- Bi6.883 Br4.82 Ni2 -","- Bi27.532 Br19.28 Ni8 -","4","0.25","SN5087","Wahl, B.; Ruck, M.","Superspace description of the modulated structure of the metal-salt-hybrid Bi~7{-~δ}Ni~2~Br~5{-~2δ} (δ = 1/9)","Acta Crystallographica Section B","2009","65","5","593","599","10.1107/S0108768109029760","","","0.71073","MoKα","","0.0431","0.0394","","","0.0781","0.0781","","","","","","7.85","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104670","5.9672","0.0007","14.4798","0.0017","7.1105","0.0009","90","","90","","90","","614.37","0.13","297","2","297","2","","","","","","","","4","C m c m","-C 2c 2","63","ammonium dioxotetrafluoromolybdate","ammonium dioxotetrafluoromolybdate","","- F4 Mo N2 O2 -","- F4 Mo0.994 N2 O2 -","- F16 Mo3.976 N8 O8 -","4","0.25","BP5027","Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M.","Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~","Acta Crystallographica Section B","2010","66","1","34","39","10.1107/S0108768109052987","","","0.71073","MoKα","","0.0268","0.0254","","","0.0762","0.077","","","","","","1.295","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105810","2.7679","","4.7942","","4.3864","","90","","90","","90","","58.207","","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Li Zn3.175 -","- Li0.958 Zn3.042 -","- Li0.958 Zn3.042 -","1","0.0625","BP5054","Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven; Ehrenberg, Helmut","LiZn~4{-~<i>x</i>} (<i>x</i> = 0.825) as a (3+1)-dimensional modulated derivative of hexagonal close packing","Acta Crystallographica Section B","2014","70","2","212","217","10.1107/S2052520613030709","","x-ray","0.71069","MoKα","","0.0693","0.0623","","","0.0875","0.088","","","","3.96","3.96","3.7","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106057","3.878","","13.96","","3.732","","90","","90","","90","","202.039","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo4 O11.2 F0.8","","- F0.8 Mo4 O11.2 -","- F0.8004 Mo4 O11.1996 -","- F0.8004 Mo4 O11.1996 -","1","0.0625","","Pierce, J.W.; Vlasse, M.","The crystal structures of two oxyfluorides of molybdenum","Acta Crystallographica B (24,1968-38,1982)","1971","27","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","141100","2020-10-21","18:00:00",""
"2106076","6.441","","16.143","","28.404","","90","","90","","90","","2953.36","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga13 K3 -","- Ga13 K3 -","- Ga104 K24 -","8","0.5","","Belin, C.","The structure determination of a new intermetallic compound K3 Ga13","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1339","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106083","7.6559","","6.4154","","4.2184","","90","","90","","90","","207.19","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al5.6 Fe2 -","- Al5.6 Fe2 -","- Al11.2 Fe4 -","2","0.125","","Burkhardt, U.; Grin', Yu.; Ellner, M.; Peters, K.","Structure refinement of the iron-aluminium phase with the approxinate composition Fe2 Al5","Acta Crystallographica B (39,1983-)","1994","50","","313","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106117","5.765","","8.542","","6.592","","90","","90","","90","","324.621","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","In (V O4)","","- In O4 V -","- In O4 V -","- In4 O16 V4 -","4","0.25","","Touboul, M.; Toledano, P.","Structure du vanadate d'indium: In V O4","Acta Crystallographica B (24,1968-38,1982)","1980","36","","240","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106165","5.529","","47.75","","4.323","","90","","90","","90","","1141.31","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3.02 Sn0.98 -","- Cu3.02 Sn0.98 -","- Cu60.4 Sn19.6 -","20","1.25","","Watanabe, Y.; Fujinaga, Y.; Iwasaki, H.","Lattice modulation in the long-period superstructure of Cu3 Sn","Acta Crystallographica B (39,1983-)","1983","39","","306","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106337","6.8018","","12.7132","","5.999","","90","","90","","90","","518.749","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li (N O3) (H2 O)3","","- H6 Li N O6 -","- H6 Li N O6 -","- H24 Li4 N4 O24 -","4","0.25","","Hermansson, K.; Thomas, J.O.; Olovsson, I.","Hydrogen bond studies. CXX. An X-ray determination of the crystal structure of Li N O3 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2857","2861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106379","4.106","","20.2","","3.98","","90","","90","","90","","330.106","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U Br O2","","- Br O2 U -","- Br O2 U -","- Br4 O8 U4 -","4","0.25","","Levet, J.C.; Potel, M.","Structure Cristalline de U O2 Br","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2542","2546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106428","7.72","","11.449","","11.755","","90","","90","","90","","1038.98","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ti Zn16 -","- Ti Zn16 -","- Ti4 Zn64 -","4","0.25","","Saillard, M.; Becle, C.; Develey, G.; Moreau, J.M.; Paccard, D.","The structure of Ti Zn16","Acta Crystallographica B (24,1968-38,1982)","1981","37","","224","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106886","17.28","","9.98","","13.55","","90","","90","","90","","2336.76","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pb3 Mn7 O15","","- Mn7 O15 Pb3 -","- Mn7 O15 Pb3 -","- Mn56 O120 Pb24 -","8","0.5","","Marsh, R.E.; Herbstein, F.H.","Some additional changes in space groups of published crystal structures","Acta Crystallographica B (39,1983-)","1983","39","","280","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","162187","2020-10-21","18:00:00",""
"2106929","15.778","","13.769","","17.33","","90","","90","","90","","3764.9","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","K Ca (H3 O)3 (U O2)7 (P O4)4 O4 (H2 O)8","","- Ca H25 K O45 P4 U7 -","- Ca K O45 P4 U7 -","- Ca4 K4 O180 P16 U28 -","4","0.25","","Demartin, F.; Diella, V.; Donzelli, S.; Gramaccioli, C.M.; Pilati, T.","The importance of accurate crystal structure determination of uranium minerals. I. Phosphuranylite K Ca (H3 O)3 (U O2)7 (P O4)4 O4.8 H2O","Acta Crystallographica B (39,1983-)","1991","47","","439","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107047","7.069","","11.445","","8.303","","90","","90","","90","","671.752","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","U3 O8","","- O8 U3 -","- O8 U3 -","- O32 U12 -","4","0.25","","Loopstra, B.O.","The structure of beta-U3 O8","Acta Crystallographica B (24,1968-38,1982)","1970","26","","656","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","165857","2020-10-21","18:00:00",""
"2107101","5.862","","9.251","","7.145","","90","","90","","90","","387.469","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na2 (Cr O4)","","- Cr Na2 O4 -","- Cr Na2 O4 -","- Cr4 Na8 O16 -","4","0.25","","Nimmo, J.K.","Sodium chromate(VI) at 296 K (neutron)","Acta Crystallographica B (24,1968-38,1982)","1981","37","","431","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107291","3.0616","0.0002","8.0495","0.0003","2.9733","0.0002","90","","90","","90","","73.275","0.007","295","","295","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B V -","- B V -","- B4 V4 -","4","0.25","PI5025","Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri","On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~","Acta Crystallographica Section B","2015","71","6","777","787","10.1107/S2052520615018363","","","0.560871","AgKα","","0.0093","0.0093","","","0.0094","0.0094","","","","","","1.01","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107319","5.6274","","8.9664","","6.9737","","90","","90","","90","","351.876","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na2 (S O4)","","- Na2 O4 S -","- Na2 O4 S -","- Na8 O16 S4 -","4","0.25","","Tanaka, K.; Naruse, H.; Morikawa, H.; Marumo, F.","Phase-transition process of Na2 S O4(III) to Na2 S O4(I) and anharmonic thermal vibration","Acta Crystallographica B (39,1983-)","1991","47","","581","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107520","4.29978","0.00008","11.71878","0.00017","4.31479","0.00008","90","","90","","90","","217.414","0.007","855","5","855","5","","","","","","","","2","C m c m","-C 2c 2","63","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.25","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0315","0.0245","","0.0124","0.0122","","","","2.32","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2108050","5.062","0.0004","8.79","0.0007","12.744","0.0013","90","","90","","90","","567.04","0.09","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C2 Ca K0.36 Na1.64 O6 -","- C2 Ca K0.36 Na1.64 O6 -","- C8 Ca4 K1.44 Na6.56 O24 -","4","0.25","","Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D.","Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~","Acta Crystallographica Section B","2017","73","2","276","284","10.1107/S2052520616020680","","x-ray","0.71073","MoKα","","0.323","0.0699","","","0.0749","0.1521","","","","1.39","1.39","1.02","","","","has coordinates,has Fobs","199044","2020-10-21","18:00:00",""
"2108156","2.93172","0.00016","11.8414","0.0006","8.6047","0.0004","90","","90","","90","","298.72","0.03","293","1","293","1","","","","","","","","4","C m c m","-C 2c 2","63","cesbronite","","","- Cu3 H4 O8 Te -","- Cu2.982 O8 Te1.018 -","- Cu5.964 O16 Te2.036 -","2","0.125","","Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J.","The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology","Acta Crystallographica Section B","2018","74","1","24","31","10.1107/S205252061701647X","","","0.71073","MoKα","","0.0436","0.0321","","","0.0663","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","206144","2020-10-21","18:00:00",""
"2108342","8.275","0.008","9.303","0.009","11.891","0.012","90","","90","","90","","915.4","1.6","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Br0.67 Cu0.67 O2 Pb0.33 Se0.67 -","- Br0.666667 Cu0.666667 O2 Pb0.333333 Se0.666667 -","- Br8 Cu8 O24 Pb4 Se8 -","12","0.75","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0546","0.0361","","","0.0683","0.0745","","","","","","1.018","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2200531","10.0236","0.0009","9.098","0.003","10.357","0.001","90","","90","","90","","944.5","0.3","273","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl2 Cr H15 N6 O -","- Cl Cr0.25 H12.5 N2.5 O0.25 -","- Cl4 Cr H50 N10 O -","4","0.25","TK6023","Akashi, Haruo; Mori, Masayasu; Shibahara, Takashi","Pentaamminenitrosylchromium(III) dichloride","Acta Crystallographica Section E","2001","57","9","i75","i76","10.1107/S1600536801012983","","","0.7107","MoKα","","","0.044","","","","0.117","","","","","","0.83","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201681","8.719","0.002","9.276","0.002","15.226","0.003","90","","90","","90","","1231.4","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H8 Cl4 N4 Zn -","- C8 H8 Cl4 N4 Zn -","- C32 H32 Cl16 N16 Zn4 -","4","0.25","WW6029","Chen-Xin Cai; Li Xu; Yun-Qi Tian; Xiao-Zeng You","The complex salt benzodiimidazolium tetrachlorozincate","Acta Crystallographica Section E","2002","58","8","m399","m401","10.1107/S1600536802011893","","","0.71073","MoKα","","0.0311","0.026","","","0.0696","0.0725","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201759","7.6259","0.0013","7.7107","0.0016","7.6592","0.0013","90","","90","","90","","450.37","0.14","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl H2 Li O -","- Cl H2 Li O -","- Cl8 H16 Li8 O8 -","8","0.5","","Lerner, Hans-Wolfram; Bolte, Michael","The orthorhombic modification of lithium chloride monohydrate","Acta Crystallographica, Section E","2003","59","","i20","i21","10.1107/S1600536803001594","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2201762","3.851","0.001","10.131","0.002","10.287","0.002","90","","90","","90","","401.34","0.15","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","scandium titanate","","","- O5 Sc2 Ti -","- O5 Sc2 Ti -","- O20 Sc8 Ti4 -","4","0.25","","Kolitsch, Uwe; Tillmanns, Ekkehart","Sc~2~TiO~5~, an entropy-stabilized pseudobrookite-type compound","Acta Crystallographica, Section E","2003","59","","i36","i39","10.1107/S1600536803003544","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2202307","5.764","0.0003","8.7418","0.0009","6.3629","0.0003","90","","90","","90","","320.61","0.04","297","","297","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Li Mn O4 V -","- Li Mn O4 V -","- Li4 Mn4 O16 V4 -","4","0.25","","Masahiko Sugahara; Akira Yoshiasa; Takamitu Yamanaka; Humihiko Takei","LiMnVO~4~","Acta Crystallographica, Section E","2003","59","","i161","i163","10.1107/S1600536803023742","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2204096","4.003","0.0003","13.7095","0.001","13.8146","0.001","90","","90","","90","","758.13","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","Rubidium digadolinium copper tetrasulfide","","- Cu Gd2 Rb S4 -","- Cu Gd2 Rb S4 -","- Cu4 Gd8 Rb4 S16 -","4","0.25","WM6025","Yao, Jiyong; Ibers, James A.","RbGd~2~CuS~4~","Acta Crystallographica Section E","2004","60","8","i95","i96","10.1107/S1600536804016460","","","0.71073","MoKα","","0.02","0.0198","","","0.0582","0.0584","","","","","","1.403","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204122","3.9451","0.0011","13.915","0.004","16.408","0.005","90","","90","","90","","900.7","0.5","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","rubidium diholmium tricopper pentasulfide","","- Cu3 Ho2 Rb S5 -","- Cu3 Ho2 Rb S5 -","- Cu12 Ho8 Rb4 S20 -","4","0.25","BR6161","Yao, Jiyong; Ibers, James A.","RbHo~2~Cu~3~S~5~","Acta Crystallographica Section E","2004","60","9","i118","i119","10.1107/S1600536804019786","","","0.71073","MoKα","","0.023","0.0226","","","0.0537","0.0539","","","","","","1.389","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205174","9.1272","0.0016","10.282","0.002","9.1902","0.0014","90","","90","","90","","862.5","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Cerium diruthenium decaaluminium","","- Al10 Ce Ru2 -","- Al10 Ce Ru2 -","- Al40 Ce4 Ru8 -","4","0.25","WM6046","Tursina, Anna I.; Nesterenko, Sergei N.; Murashova, Elena V.; Chernyshev, Ilya V.; Noël, Henri; Seropegin, Yuri D.","CeRu~2~Al~10~ with the YbFe~2~Al~10~ structure type","Acta Crystallographica Section E","2005","61","2","i12","i14","10.1107/S1600536805000310","","","0.71073","MoKα","","0.0462","0.0434","","","0.1204","0.1227","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206093","4.3051","0.0003","19.0324","0.0015","20.7335","0.0019","90","","90","","90","","1698.8","0.2","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","Potassium trichloro decafluoropentastannates(II)","pentapotassium trichlorodecafluoropentastannate(II)","","- Cl3 F10 K3 Sn5 -","- Cl3 F10 K3 Sn5 -","- Cl12 F40 K12 Sn20 -","4","0.25","WM6068","Hocine Merazig; Fatima Setifi; Zouaoui Setifi; Peter H. Bird; George Dénès; Korzior Tam","K~3~Sn~5~Cl~3~F~10~ with a corrugated layered structure","Acta Crystallographica Section E","2005","61","6","i120","i122","10.1107/S1600536805016351","","","0.71073","MoKα","","0.0253","0.025","","","0.0576","0.0578","","","","","","1.207","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206406","18.893","0.004","11.214","0.003","6.573","0.001","90","","90","","90","","1392.6","0.5","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","tricesium diiron(III) tris(arsenate)","","- As3 Cs3 Fe2 O12 -","- As3 Cs3 Fe2 O12 -","- As12 Cs12 Fe8 O48 -","4","0.25","DN6220","Ouerfelli, Najoua; Zid, Mohamed Faouzi; Jouini, Tahar","Un nouveau diarséniate Cs~3~Fe~2~(AsO~4~)~3~ à environnement exclusivement pentagonal du fer","Acta Crystallographica Section E","2005","61","8","i165","i167","10.1107/S1600536805021616","","","0.71073","MoKα","","0.0316","0.0244","","","0.0675","0.07","","","","","","1.246","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206495","3.605","0.002","9.445","0.004","9.653","0.004","90","","90","","90","","328.7","0.3","297","1","297","1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 O5 Ti -","- Al2 O5 Ti -","- Al8 O20 Ti4 -","4","0.25","MG6041","Stefan T. Norberg; Nobuo Ishizawa; Stefan Hoffmann; Masahiro Yoshimura","Redetermination of β-Al~2~TiO~5~ obtained by melt casting","Acta Crystallographica Section E","2005","61","8","i160","i162","10.1107/S1600536805021331","","","0.71073","MoKα","","0.03","0.028","","0.029","0.028","0.028","","","1.093","","","1.112","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207923","3.9423","0.0009","16.502","0.003","3.9319","0.0009","90","","90","","90","","255.79","0.09","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","Erbium nickel disilicide","Erbium nickel disilicide","","- Er Ni Si2 -","- Er Ni Si2 -","- Er4 Ni4 Si8 -","4","0.25","WM6126","Kończyk, J.; Demchenko, P.; Matvijishyn, R.; Pavlyuk, V.; Marciniak, B.","Erbium nickel disilicide, ErNiSi~2~","Acta Crystallographica Section E","2006","62","1","i4","i6","10.1107/S1600536805040262","","","0.71073","MoKα","","0.0254","0.0252","","","0.0573","0.0574","","","","","","1.329","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209106","8.7049","0.0007","11.3913","0.0011","10.5121","0.0011","90","","90","","90","","1042.38","0.17","220","2","220","2","","","","","","","","5","C m c m","-C 2c 2","63","","Diiodobis(acetonitrile-N)zinc(II)","","- C4 H6 I2 N2 Zn -","- C4 H6 I2 N2 Zn -","- C16 H24 I8 N8 Zn4 -","4","0.25","BT2080","Bhosekar, Gaurav; Jeß, Inke; Näther, Christian","A redetermination of (acetonitrile-κ<i>N</i>)diiodozinc(II)","Acta Crystallographica Section E","2006","62","6","m1315","m1316","10.1107/S1600536806017600","","","0.71073","MoKα","","0.0363","0.0324","","","0.0858","0.0877","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2212047","9.1922","0.0012","7.4198","0.0009","5.5002","0.0007","90","","90","","90","","375.14","0.08","167","1","167","2","","","","","","","","3","C m c m","-C 2c 2","63","disodium zinc germanide","disodium zinc germanide","","- Ge Na2 Zn -","- Ge Na2 Zn -","- Ge4 Na8 Zn4 -","4","0.25","BR2027","Cheviré, François; DiSalvo, Francis J.","Na~2~ZnGe","Acta Crystallographica, Section E","2007","63","2","m62","m63","10.1107/S1600536807003972","","","0.71073","MoKα","","0.0188","0.0157","","","0.0329","0.0334","","","","","","1.122","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2216048","7.4838","0.0002","7.1954","0.0002","14.3623","0.0004","90","","90","","90","","773.39","0.04","295","2","295","2","","","","","","","","6","C m c m","-C 2c 2","63","","<i>catena</i>-Poly[[silver(I)-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] perchlorate]","","- C4 H4 Ag Cl N2 O4 -","- C4 H4 Ag Cl N2 O4 -","- C16 H16 Ag4 Cl4 N8 O16 -","4","0.25","LH2524","Song, Wen-Dong; Gu, Chang-Sheng; Yan, Jian-Bin; Ng, Seik Weng","<i>catena</i>-Poly[[silver(I)-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] perchlorate]","Acta Crystallographica Section E","2007","63","11","m2701","m2701","10.1107/S1600536807048969","","","0.71073","MoKα","","0.0245","0.0211","","","0.0487","0.0517","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218402","10.469","0.002","10.403","0.002","10.047","0.001","90","","90","","90","","1094.2","0.3","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","Potassium silver tetraniobium nonaoxide arsenate","","- Ag0.2 As K0.8 Nb4 O13 -","- Ag0.204 As K0.802 Nb4 O13 -","- Ag0.816 As4 K3.208 Nb16 O52 -","4","0.25","FJ2116","Ben Amor, Rym; Zid, Mohamed Faouzi; Driss, Ahmed","K~0.8~Ag~0.2~Nb~4~O~9~AsO~4~","Acta Crystallographica Section E","2008","64","6","i41","","10.1107/S1600536808015225","","","0.71073","MoKα","","0.0262","0.0238","","","0.0659","0.0669","","","","","","1.129","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219716","19.1815","0.0002","6.6973","0.0004","34.7044","0.0005","90","","90","","90","","4458.3","0.3","295","2","295","2","","","","","","","","7","C m c m","-C 2c 2","63","","Poly[tetraaqua-μ~4~-bromido-di-μ~2~-bromido-μ~2~-hydroxido-di-μ~3~- isonicotinato-tetra-μ~2~-isonicotinato-tetracopper(I)dithulium(III)]","","- C36 H33 Br3 Cu4 N6 O17 Tm2 -","- C36 H33 Br3 Cu4 N6 O17 Tm2 -","- C144 H132 Br12 Cu16 N24 O68 Tm8 -","4","0.25","SJ2536","Wang, Guo-Ming; Li, Zeng-Xin; Zheng, Qing-Hua; Liu, Hui-Luan","Poly[tetraaqua-μ~4~-bromido-di-μ~2~-bromido-μ~2~-hydroxido-di-μ~3~-isonicotinato-tetra-μ~2~-isonicotinato-tetracopper(I)dithulium(III)]","Acta Crystallographica Section E","2008","64","10","m1260","m1261","10.1107/S1600536808028675","","","0.71073","MoKα","","0.0326","0.0268","","","0.0612","0.0641","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2221997","6.6459","0.0004","21.6144","0.0014","8.3878","0.0005","90","","90","","90","","1204.88","0.13","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","4,6-Dimethyl-2-thioxo-1,2-dihydropyrimidin-3-ium chloride‒thiourea (1/1)","","- C7 H13 Cl N4 S2 -","- C7 H13 Cl N4 S2 -","- C28 H52 Cl4 N16 S8 -","4","0.25","ER2066","Gaye, Papa Aly; Barry, Aliou Hamady; Gaye, Mohamed; Sarr, Aminata Diasse; Sall, Abdou Salam","4,6-Dimethyl-2-thioxo-1,2-dihydropyrimidin-3-ium chloride‒thiourea (1/1)","Acta Crystallographica Section E","2009","65","6","o1252","","10.1107/S1600536809016857","","","0.71073","MoKα","","0.0804","0.0546","","","0.1566","0.1746","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224021","9.2518","0.0009","8.8244","0.0009","14.7531","0.0008","90","","90","","90","","1204.47","0.18","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","<i>catena</i>-Poly[[chloridomercury(II)]-μ-1,4-diazabicyclo[2,2,2]octane- κ^2^<i>N</i>:<i>N</i>'-[chloridomercury(II)]-di-μ-chlorido]","","- C3 H6 Cl2 Hg N -","- C3 H6 Cl2 Hg N -","- C24 H48 Cl16 Hg8 N8 -","8","0.5","SU2148","Fang, Shao-Ming; Hu, Min; Ma, Song-Tao; Liu, Chun-Sen","<i>catena</i>-Poly[[chloridomercury(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>'-[chloridomercury(II)]-di-μ-chlorido]","Acta Crystallographica Section E","2009","65","11","m1477","m1478","10.1107/S1600536809043839","","","0.71073","MoKα","","0.0601","0.0369","","","0.0453","0.047","","","","","","0.961","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225664","8.1496","0.0016","21.904","0.004","7.7184","0.0015","90","","90","","90","","1377.8","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","1,4-Diazoniabicyclo[2.2.2]octane tetrachloroiodate(III) chloride","","- C6 H14 Cl5 I N2 -","- C6 H14 Cl5 I N2 -","- C24 H56 Cl20 I4 N8 -","4","0.25","PV2257","Chen, Li-Zhuang","1,4-Diazoniabicyclo[2.2.2]octane tetrachloroiodate(III) chloride","Acta Crystallographica Section E","2010","66","4","o788","","10.1107/S1600536810007865","","","0.71073","MoKα","","0.02","0.019","","","0.045","0.045","","","","","","1.25","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225918","17.097","0.004","11.161","0.003","6.912","0.0017","90","","90","","90","","1318.9","0.6","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","2,7-Dibromo-9,9-dimethyl-9<i>H</i>-fluorene","","- C15 H12 Br2 -","- C15 H12 Br2 -","- C60 H48 Br8 -","4","0.25","LH5021","Chen, Xiao; Fu, Xinliang; Qiu, Yongkuan; Yuan, Jialong","2,7-Dibromo-9,9-dimethyl-9<i>H</i>-fluorene","Acta Crystallographica Section E","2010","66","5","o1034","","10.1107/S1600536810012171","","","0.71073","MoKα","","0.0477","0.0315","","","0.0756","0.0851","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227292","9.328","0.001","15.1327","0.0013","6.4967","0.0007","90","","90","","90","","917.06","0.16","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","2,4,6-Trimethylpyridinium nitrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","0.25","BX2300","Sharif, Shahzad; Akkurt, Mehmet; Khan, Islam Ullah; Rauf, Abdul; Mariam, Irfana","2,4,6-Trimethylpyridinium nitrate","Acta Crystallographica Section E","2010","66","9","o2362","","10.1107/S1600536810032629","","","0.71073","MoKα","","0.0813","0.0466","","","0.1243","0.1487","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227850","11.778","0.0002","13.1938","0.0003","6.5561","0.0001","90","","90","","90","","1018.8","0.03","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","1,2,3,4-Tetrahydrophenazine 5,10-dioxide","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","0.25","NK2042","Sun, Tao; Li, Jianye; Qiao, Hongwei; Hao, Aiyou; Li, Yueming","1,2,3,4-Tetrahydrophenazine 5,10-dioxide","Acta Crystallographica Section E","2010","66","9","o2425","","10.1107/S1600536810030242","","","0.71073","MoKα","","0.0448","0.0402","","","0.1197","0.1268","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229036","8.3024","0.0012","23.008","0.003","15.279","0.002","90","","90","","90","","2918.6","0.7","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","Pentapotassium μ-arsenato-bis(hydroxytetramolybdate) dihydrate","","- As H6 K5 Mo8 O32 -","- As H6 K5 Mo8 O32 -","- As4 H24 K20 Mo32 O128 -","4","0.25","FI2098","Yu, Hai-Hui; Kong, Li; Cui, Ji-Wen; Wang, Hai-Tao","Pentapotassium μ-arsenato-bis(hydroxytetramolybdate) dihydrate","Acta Crystallographica Section E","2011","67","2","i15","","10.1107/S1600536810054176","","","0.71073","MoKα","","0.044","0.0323","","","0.0926","0.0976","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2229148","10.412","0.002","10.452","0.002","10.009","0.004","90","","90","","90","","1089.2","0.5","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","Potassium sodium silver tetraniobium nonaoxide arsenate","","- Ag0.34 As K0.12 Na0.54 Nb4 O13 -","- Ag0.346 As K0.118 Na0.536 Nb4 O13 -","- Ag1.384 As4 K0.472 Na2.144 Nb16 O52 -","4","0.25","MG2111","Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed","K~0.12~Na~0.54~Ag~0.34~Nb~4~O~9~AsO~4~","Acta Crystallographica Section E","2011","67","2","i10","","10.1107/S1600536811000055","","","0.71073","MoKα","","0.0143","0.0134","","","0.0343","0.0347","","","","","","1.139","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229149","4.7088","0.0005","21.965","0.002","14.5982","0.0015","90","","90","","90","","1509.9","0.3","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","Pentaeuropium dicadmium pentaantimonide oxide","","- Cd2 Eu5 O Sb5 -","- Cd2 Eu5 O Sb5 -","- Cd8 Eu20 O4 Sb20 -","4","0.25","MG2112","Saparov, Bayrammurad; Bobev, Svilen","Pentaeuropium dicadmium pentaantimonide oxide, Eu~5~Cd~2~Sb~5~O","Acta Crystallographica Section E","2011","67","2","i11","","10.1107/S1600536811000274","","","0.71073","MoKα","","0.0212","0.0195","","","0.0431","0.044","","","","","","1.14","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2233434","4.4495","0.0007","17.699","0.003","4.3978","0.0007","90","","90","","90","","346.33","0.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","terbium (lithium zinc) distannide","","- Li0.8 Sn2 Tb Zn0.2 -","- Li0.8 Sn2 Tb Zn0.198 -","- Li3.2 Sn8 Tb4 Zn0.792 -","4","0.25","FI2120","Stetskiv, Andrij; Tarasiuk, Ivan; Rozdzynska-Kielbik, Beata; Oshchapovsky, Igor; Pavlyuk, Volodymyr","Terbium (lithium zinc) distannide, TbLi~1{‒~<i>x</i>}Zn~<i>x~</i>Sn~2~ (<i>x</i> = 0.2)","Acta Crystallographica Section E","2012","68","2","i16","","10.1107/S1600536812002103","","","0.71073","MoKα","","0.046","0.027","","","0.0544","0.0664","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234031","3.9595","0.0003","14.435","0.0013","13.7062","0.0009","90","","90","","90","","783.38","0.11","290","1","290","1","","","","","","","","3","C m c m","-C 2c 2","63","","Hafnium titanium pentatelluride","","- Hf0.78 Te5 Ti0.22 -","- Hf0.781 Te5 Ti0.219 -","- Hf3.124 Te20 Ti0.876 -","4","0.25","WM2588","Yu, Jaemin; Yun, Hoseop","Ti insertion in the <i>M</i>Te~5~ (<i>M</i> = Zr, Hf) structure type: Hf~0.78~Ti~0.22~Te~5~","Acta Crystallographica Section E","2012","68","3","i19","","10.1107/S1600536812006691","","","0.71073","MoKα","","0.0303","0.0287","","","","0.0682","","","","","","1.157","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234796","7.3806","0.0011","12.7836","0.0019","13.619","0.002","90","","90","","90","","1285","0.3","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Poly[[diaquahexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]","","- C6 H8 Ce Fe N6 O4 -","- C6 H8 Ce Fe N6 O4 -","- C24 H32 Ce4 Fe4 N24 O16 -","4","0.25","RZ2741","Yu, Deng-Yong; Liu, Xiao-Qing; Yuan, Ai-Hua","Poly[[diaquahexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]","Acta Crystallographica Section E","2012","68","5","i39","","10.1107/S1600536812016911","","","0.71073","MoKα","","0.0397","0.0374","","","0.0973","0.0983","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235671","4.1678","0.0002","14.2227","0.0007","10.8476","0.0005","90","","90","","90","","643.02","0.05","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","Thallium(I) copper(I) thorium(IV) triselenide","","- Cu Se3 Th Tl -","- Cu Se3 Th Tl -","- Cu4 Se12 Th4 Tl4 -","4","0.25","WM2644","Koscielski, Lukasz A.; Ibers, James A.","Thallium(I) copper(I) thorium(IV) triselenide, TlCuThSe~3~","Acta Crystallographica Section E","2012","68","7","i52","i53","10.1107/S1600536812026669","","","0.71073","MoKα","","0.0229","0.0206","","","0.0455","0.046","","","","","","1.592","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236088","4.2129","0.0002","25.6317","0.0011","6.0385","0.0002","90","","90","","90","","652.06","0.05","100","2","100","","","","","","","","","3","C m c m","-C 2c 2","63","","Caesium diuranium hexatelluride","","- Cs Te6 U2 -","- Cs Te6 U2 -","- Cs2 Te12 U4 -","2","0.125","BR2209","Mesbah, Adel; Ibers, James A.","Caesium diuranium hexatelluride","Acta Crystallographica Section E","2012","68","10","i76","","10.1107/S1600536812038512","","","0.71073","MoKα","","0.0232","0.0216","","","0.0528","0.0533","","","","","","1.222","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237573","9.622","0.005","18.404","0.005","9.734","0.005","90","","90","","90","","1723.7","1.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","<i>catena</i>-Poly[[bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^,<i>N</i>^3^]","","- C14 H20 Co N10 -","- C14 H20 Co N10 -","- C56 H80 Co4 N40 -","4","0.25","VM2189","Guenifa, Fatiha; Zeghouan, Ouahida; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine","<i>catena</i>-Poly[[bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2013","69","3","m175","","10.1107/S1600536813005205","","","0.71073","MoKα","","0.0479","0.032","","","0.077","0.0862","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239603","12.0554","0.0003","6.3904","0.00017","19.3383","0.0004","90","","90","","90","","1489.8","0.06","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","<i>catena</i>-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^-lithium-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>] 2.5-hydrate]","","- C8 H11 Li2 N2 O12.5 -","- C8 H11 Li2 N2 O12.5 -","- C32 H44 Li8 N8 O50 -","4","0.25","","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^-lithium-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>] 2.5-hydrate]","Acta Crystallographica Section E","2014","70","6","m234","m235","10.1107/S160053681401174X","","","0.71073","MoKα","","0.0477","0.0421","","","0.1172","0.122","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239703","16.9485","0.0017","11.0619","0.0011","6.8127","0.001","90","","90","","90","","1277.3","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","2',7'-Dibromospiro[cyclopropane-1,9'-fluorene]","","- C15 H10 Br2 -","- C15 H10 Br2 -","- C60 H40 Br8 -","4","0.25","CV5463","Xue, Yue-yuan; Qin, Yong-qi","2',7'-Dibromospiro[cyclopropane-1,9'-fluorene]","Acta Crystallographica Section E","2014","70","7","o821","","10.1107/S1600536814014585","","","0.71073","MoKα","","0.0536","0.0386","","","0.0952","0.1002","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240206","18.7808","0.0015","6.86","0.003","11.1884","0.0016","90","","90","","90","","1441.5","0.7","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","strontium perchlorate nonahydrate","Heptaaquadiperchloratostrontium dihydrate","","- Cl2 H18 O17 Sr -","- Cl2 H18 O17 Sr -","- Cl8 H72 O68 Sr4 -","4","0.25","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.0504","0.0478","","","0.1323","0.1337","","","","","","1.156","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2241059","3.1466","0.0005","9.869","0.0016","7.3019","0.0005","90","","90","","90","","226.75","0.05","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium iridium(IV) trioxide","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Nakatsuka, Akihiko; Sugiyama, Kazumasa; Yoneda, Akira; Fujiwara, Keiko; Yoshiasa, Akira","Crystal structure of post-perovskite-type CaIrO~3~ reinvestigated: new insights into atomic thermal vibration behaviors","Acta Crystallographica Section E","2015","71","9","1109","1113","10.1107/S2056989015015649","","","0.71069","MoKα","","","0.019","","","","0.021","","","","","","1.555","","","","has coordinates,has Fobs","153796","2020-10-21","18:00:00",""
"2242783","18.7368","0.0015","6.8399","0.0006","18.5652","0.0015","90","","90","","90","","2379.3","0.3","297","2","297","2","","","","","","","","3","C m c m","-C 2c 2","63","","Dicalcium octaoxidotritellurate(IV)","","- Ca2 O8 Te3 -","- Ca2 O8 Te3 -","- Ca24 O96 Te36 -","12","0.75","","Weil, Matthias","Ca~2~Te~3~O~8~, a new phase in the CaO‒TeO~2~ system","Acta Crystallographica Section E","2019","75","1","26","29","10.1107/S2056989018017310","","","0.71073","MoKα","","0.0298","0.0228","","","0.042","0.0433","","","","","","1.115","","","","has coordinates,has Fobs","212551","2020-10-21","18:00:00",""
"2243273","12.199","0.003","12.091","0.003","14.177","0.003","90","","90","","90","","2091.1","0.9","173","2","173.15","","","","","","","","","4","C m c m","-C 2c 2","63","","<i>N</i>-(2,6-Diisopropylphenyl)-1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanamine","","- C18 H35 N Si2 -","- C18 H35 N Si2 -","- C72 H140 N4 Si8 -","4","0.25","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","","0.71073","MoKα","","0.0588","0.0473","","","0.1173","0.126","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2300128","5.174713","0.000029","7.87563","0.00005","6.49517","0.00005","90","","90","","90","","264.705","0.003","300","","","","","","","","","","Formed by reacting MgO with H2SO4 in excess then drying for 24 hr at 400 deg C.","3","C m c m","-C 2c 2","63","magnesium sulfate","alpha-magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","DB5013","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S.","Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction","Journal of Applied Crystallography","2007","40","4","761","770","10.1107/S0021889807029937","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300129","5.168629","0.000033","7.86781","0.00005","6.46674","0.00005","90","","90","","90","","262.975","0.003","4","","","","","","","","","","Formed by reacting MgO with H2SO4 in excess then drying for 24 hr at 400C.","3","C m c m","-C 2c 2","63","magnesium sulfate","alpha-magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","DB5013","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S.","Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction","Journal of Applied Crystallography","2007","40","4","761","770","10.1107/S0021889807029937","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300484","3.0294","0.0004","10.0534","0.0012","7.3938","0.0007","90","","90","","90","","225.18","0.05","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.25","KS5440","Lindsay-Scott, Alex; Dobson, David; Nestola, Fabrizio; Alvaro, Matteo; Casati, Nicola; Liebske, Christian; Knight, Kevin S.; Smith, Ronald I.; Wood, Ian G.","Time-of-flight neutron powder diffraction with milligram samples: the crystal structures of NaCoF~3~ and NaNiF~3~ post-perovskites","Journal of Applied Crystallography","2014","47","6","1939","1947","10.1107/S1600576714021803","","","0.20675","X-ray","","0.1046","0.0665","","","0.1552","0.19","","","","","","1.057","","","","has coordinates,has Fobs","213072","2020-10-21","18:00:00",""
"2300523","2.861","","5.8234","","4.9736","","90","","90","","90","","82.864","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","(Ti0.04 U0.96)","","- Ti0.04 U0.96 -","- Ti0.04 U0.96 -","- Ti0.16 U3.84 -","4","0.25","","Choi, C.S.; Prask, H.J.","Neutron difraction studies of two uranium-0.75 wt.% titanium alloys","Journal of Applied Crystallography","1985","18","","141","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","148678","2020-10-21","18:00:00",""
"2300644","18.11","0.004","20.53","0.004","7.528","0.0015","90","","90","","90","","2798.9","1","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Mordenite","","- O96 Si48 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Cichocka, Magdalena Ola; Ångström, Jonas; Wang, Bin; Zou, Xiaodong; Smeets, Stef","High-throughput continuous rotation electron diffraction data acquisition <i>via</i> software automation","Journal of Applied Crystallography","2018","51","6","","","10.1107/S1600576718015145","","electron","0.0251","","","0.3007","0.2841","","","0.5628","0.5753","","","","","","1.647","","","","has coordinates,has Fobs","212145","2020-10-21","18:00:00",""
"2300645","18.11","0.004","20.53","0.004","7.528","0.0016","90","","90","","90","","2798.9","1","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Mordenite","","- O96 Si48 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Cichocka, Magdalena Ola; Ångström, Jonas; Wang, Bin; Zou, Xiaodong; Smeets, Stef","High-throughput continuous rotation electron diffraction data acquisition <i>via</i> software automation","Journal of Applied Crystallography","2018","51","6","","","10.1107/S1600576718015145","","electron","0.0251","","","0.1769","0.1602","","","0.4332","0.448","","","","","","1.61","","","","has coordinates,has Fobs","212145","2020-10-21","18:00:00",""
"2300736","4.4329","0.0012","11.246","0.003","4.1735","0.0011","90","","90","","90","","208.06","0.1","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0225","0.0147","","","0.0193","0.0201","","","","","","1.107","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:52",""
"2300737","4.1855","0.0006","11.9137","0.0015","4.1857","0.0006","90","","90","","90","","208.72","0.05","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0107","0.0105","","","0.0256","0.0257","","","","","","1.293","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300738","4.16","0.0003","12.0374","0.0009","4.1825","0.0003","90","","90","","90","","209.44","0.03","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0179","0.0156","","","0.0308","0.0317","","","","","","1.251","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300739","12.338","0.0006","12.271","0.0009","4.1691","0.0002","90","","90","","90","","631.2","0.06","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga12 Nd12 -","12","0.75","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.047","0.0276","","","0.051","0.0567","","","","","","1.063","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300740","12.332","0.002","12.264","0.002","4.1782","0.0007","90","","90","","90","","631.91","0.18","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga3 Nd3 -","- Ga3 Nd3 -","- Ga12 Nd12 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0376","0.0295","","","0.0651","0.0683","","","","","","1.08","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2310092","2.96","","7.81","","2.94","","90","","90","","90","","67.966","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Cr B","","- B Cr -","- B Cr -","- B4 Cr4 -","4","0.25","","Frueh, A.J.jr.","Confirmation of the structure of chromium boride, Cr B","Acta Crystallographica (1,1948-23,1967)","1951","4","","66","67","10.1107/S0365110X51000118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310099","3.276","","8.669","","3.157","","90","","90","","90","","89.658","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ta B","","- B Ta -","- B Ta -","- B4 Ta4 -","4","0.25","","Parthe, E.; Schob, O.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","10.1107/S0365110X65003134","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310100","3.1","","8.17","","2.98","","90","","90","","90","","75.474","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","V B","","- B V -","- B V -","- B4 V4 -","4","0.25","","Parthe, E.; Schob, O.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and CsCl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","10.1107/S0365110X65003134","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310214","5.6","","9.18","","8.46","","90","","90","","90","","434.912","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Re2 U -","- Re2 U -","- Re16 U8 -","8","0.5","","Hatt, B.A.","The crystal structure of U Re2","Acta Crystallographica (1,1948-23,1967)","1961","14","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310219","3.268","","9.937","","4.101","","90","","90","","90","","133.176","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ni Zr -","- Ni Zr -","- Ni4 Zr4 -","4","0.25","","Kirkpatrick, M.E.; Bailey, D.M.; Smith, J.F.","The structures of Ni Zr2, Ni Zr and their hafnium analogs","Acta Crystallographica (1,1948-23,1967)","1962","15","","252","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310235","7.19","","10.79","","5.21","","90","","90","","90","","404.192","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Hg Na -","- Hg Na -","- Hg8 Na8 -","8","0.5","","Nielson, J.W.; Baenziger, N.C.","The crystal strutures of Na Hg2, Na Hg and Na3 Hg2","Acta Crystallographica (1,1948-23,1967)","1954","7","","277","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310243","4.022","","10.205","","3.895","","90","","90","","90","","159.868","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Sc -","- Ga Sc -","- Ga4 Sc4 -","4","0.25","","Schob, O.; Parthe, E.","A B compounds wit Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310244","4.302","","10.86","","4.073","","90","","90","","90","","190.289","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Y -","- Ga Y -","- Ga4 Y4 -","4","0.25","","Schob, O.; Parthe, E.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310272","4.3","","10.989","","4.067","","90","","90","","90","","192.177","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Dy Ga -","- Dy Ga -","- Dy4 Ga4 -","4","0.25","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. I. The crystal structures of Dy Ga and Gd Pt and their related compounds","Acta Crystallographica (1,1948-23,1967)","1961","14","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310287","3.74","","10.88","","4.16","","90","","90","","90","","169.275","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co Th -","- Co Th -","- Co4 Th4 -","4","0.25","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310303","3.475","","10.976","","9.22","","90","","90","","90","","351.666","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co Pu3 -","- Co Pu3 -","- Co4 Pu12 -","4","0.25","","Larson, A.C.; Cromer, D.T.; Roof, R.B.jr.","The crystal structure of Pu3 Co","Acta Crystallographica (1,1948-23,1967)","1963","16","","835","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310322","5.69","","8.881","","9.1","","90","","90","","90","","459.849","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Al B10","","- Al0.61 B6.5 -","- Al0.61 B6.5 -","- Al4.88 B52 -","8","0.5","","Will, G.","Crystal structure analysis of Al B10 by the convolution molecule method","Acta Crystallographica (1,1948-23,1967)","1967","23","","1071","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","146445","2020-10-21","18:00:00",""
"2310345","6.58","","11.4","","6.94","","90","","90","","90","","520.583","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Zr F6)","","- F6 K2 Zr -","- F6 K2 Zr -","- F24 K8 Zr4 -","4","0.25","","Bode, H.; Teufer, G.","Die Kristallstruktur des Kaliumhexafluorozirkonats und Kaliumhexafluorohafnats","Acta Crystallographica (1,1948-23,1967)","1956","9","","929","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310349","9.49","","11.88","","5.61","","90","","90","","90","","632.478","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs (Cu2 Cl3)","","- Cl3 Cs Cu2 -","- Cl3 Cs Cu2 -","- Cl12 Cs4 Cu8 -","4","0.25","","Brink, C.; Binnendijk, N.F.; van de Linde, J.","The crystal structures of Cs Cu2 Cl3 and Cs Ag2 I3","Acta Crystallographica (1,1948-23,1967)","1954","7","","176","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310466","4.19","","10.35","","3.78","","90","","90","","90","","163.925","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Si -","- Er Si -","- Er4 Si4 -","4","0.25","","Raman, A.; Steinfink, H.","The Crystal Structures of Rare-Earth Monosilicides","Acta Crystallographica (1,1948-23,1967)","1967","22","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310469","5.033","","12","","4.493","","90","","90","","90","","271.359","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn Sr -","- Sn Sr -","- Sn4 Sr4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310509","7.182","","13.86","","6.538","","90","","90","","90","","650.809","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na3 H Ti F8","","- F8 H Na3 Ti -","- F8 Na3 Ti -","- F32 Na12 Ti4 -","4","0.25","","Weiss, R.; Fischer, J.; Chevrier, B.","Structure Cristalline du Fluorotitanate Acide de Sodium, Na3 H Ti F8","Acta Crystallographica (1,1948-23,1967)","1966","20","","534","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310561","5.155","","7.842","","6.338","","90","","90","","90","","256.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni S O4","","- Ni O4 S -","- Ni O4 S -","- Ni4 O16 S4 -","4","0.25","","Dimaras, P.I.","Morphology and Structure of Anhydrous Nickel Sulphate","Acta Crystallographica (1,1948-23,1967)","1957","10","","313","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310623","4.412","","16.19","","9.69","","90","","90","","90","","692.159","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","K Hg (C N)2 I","","- C2 Hg I K N2 -","- C2 Hg I K N2 -","- C8 Hg4 I4 K4 N8 -","4","0.25","","Kruse, F.H.","The crystal structure of K I Hg (C N)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310636","5.308","","7.851","","6.767","","90","","90","","90","","282.002","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","In P O4","","- In O4 P -","- In O4 P -","- In4 O16 P4 -","4","0.25","","Mooney, R.C.L.","Crystal Structure of Anhydrous Indium Phosphate and Thallic Phosphate by X-ray Diffraction","Acta Crystallographica (1,1948-23,1967)","1956","9","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310637","5.395","","8.01","","7.071","","90","","90","","90","","305.566","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tl P O4","","- O4 P Tl -","- O4 P Tl -","- O16 P4 Tl4 -","4","0.25","","Mooney, R.C.L.","Crystal Structure of Anhydrous Indium Phosphate and Thallic Phosphate by X-ray Diffraction","Acta Crystallographica (1,1948-23,1967)","1956","9","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310652","5.155","","7.842","","6.338","","90","","90","","90","","256.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni (S O4)","","- Ni O4 S -","- Ni O4 S -","- Ni4 O16 S4 -","4","0.25","","Poljak, R.J.","On the structure of anhydrous nickel sulfate","Acta Crystallographica (1,1948-23,1967)","1958","11","","306","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310672","3.7893","","14.975","","3.7606","","90","","90","","90","","213.394","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zr Ge2","","- Ge2 Zr -","- Ge2 Zr -","- Ge8 Zr4 -","4","0.25","","Smith, J.F.; Bailey, D.M.","The Structures of Zr Ge2, Hf Si2 and Hf Ge2","Acta Crystallographica (1,1948-23,1967)","1957","10","","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310673","3.8154","","15.004","","3.7798","","90","","90","","90","","216.379","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Hf Ge2","","- Ge2 Hf -","- Ge2 Hf -","- Ge8 Hf4 -","4","0.25","","Smith, J.F.; Bailey, D.M.","The Structures of Zr Ge2, Hf Si2 and Hf Ge2","Acta Crystallographica (1,1948-23,1967)","1957","10","","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310770","5.521","0.0002","47.781","0.003","4.334","0.0002","90","","90","","90","","1143.3","0.1","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","Cu3 Sn1","","","- Cu3 Sn -","- Cu3 Sn -","- Cu60 Sn20 -","20","1.25","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0966","0.0382","","","0.13","0.1719","","","","1.52","1.52","1.17","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310771","5.5185","0.0003","47.768","0.002","4.332","0.0002","90","","90","","90","","1141.95","0.09","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu60 Sn20 -","20","1.25","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0652","0.0287","","","0.0921","0.1068","","","","2.2","2.2","1.62","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310772","5.5196","0.0001","38.2386","0.0012","4.3321","0.0001","90","","90","","90","","914.34","0.04","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu48 Sn16 -","16","1","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0419","0.0256","","","0.0904","0.0965","","","","2.54","2.54","1.96","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310773","5.5184","0.0002","38.2337","0.0015","4.3326","0.0002","90","","90","","90","","914.13","0.06","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu48 Sn16 -","16","1","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0394","0.0224","","","0.0538","0.0632","","","","1.48","1.48","1.26","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310774","5.5199","0.0001","47.7904","0.0009","4.3326","0.0001","90","","90","","90","","1142.93","0.04","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu60 Sn20 -","20","1.25","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0467","0.0228","","","0.0797","0.0884","","","","2.23","2.23","1.71","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2311050","5.057","","11.942","","4.299","","90","","90","","90","","259.62","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Ge -","- Ba Ge -","- Ba4 Ge4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311051","5.028","","11.929","","4.131","","90","","90","","90","","247.773","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Si -","- Ba Si -","- Ba4 Si4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311052","5.31","","12.485","","4.65","","90","","90","","90","","308.273","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Sn -","- Ba Sn -","- Ba4 Sn4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311053","4.808","","11.36","","4.169","","90","","90","","90","","227.706","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Sr Ge","","- Ge Sr -","- Ge Sr -","- Ge4 Sr4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311077","5.73","","9.2","","4.73","","90","","90","","90","","249.347","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni Ba O2","","- Ba Ni O2 -","- Ba Ni O2 -","- Ba4 Ni4 O8 -","4","0.25","","Lander, J.J.","The Crystal Structures of Ni O (Ba O)3, Ni O Ba O, Ba Ni O3, and Intermediate Phases With Composition Near Ba2 Ni2 O5, with a Note on Ni O","Acta Crystallographica (1,1948-23,1967)","1951","4","","148","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311774","10.1948","0.0013","7.3566","0.0009","28.679","0.004","90","","90","","90","","2150.9","0.5","280","0.1","280","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.104","0.08","","","0.2232","0.2429","","","","","","1.109","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311775","10.1958","0.0013","7.3592","0.0009","28.718","0.004","90","","90","","90","","2154.8","0.5","290","0.1","290","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H27 N4 O4 -","- C88 H108 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1061","0.0791","","","0.2193","0.2421","","","","","","1.086","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2312138","4.9868","0.0009","25.959","0.004","8.0508","0.0011","90","","90","","90","","1042.2","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co Ga0.52 Mg0.74 -","- Co Ga0.515 Mg0.735 -","- Co32 Ga16.48 Mg23.52 -","32","2","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0786","0.0338","","","0.0622","0.0886","","","","","","0.903","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:34",""
"2312358","7.6217","0.0002","23.4434","0.0006","20.6877","0.0006","90","","90","","90","","3696.45","0.17","300.7","0.2","300.7","0.2","","","","","","","","3","C m c m","-C 2c 2","63","","Hexatriacontaaluminium hexadecaruthenium decasilicon","","- Al36.29 Ru16.1 Si10.46 -","- Al36.291 Ru16.1038 Si10.4582 -","- Al145.164 Ru64.4152 Si41.8328 -","4","0.25","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0215","0.0152","","","0.03","0.0316","","","","","","1.042","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:13",""
"2312362","8.63058","0.00014","8.79888","0.00015","17.462","0.0003","90","","90","","90","","1326.05","0.04","300.7","0.2","300.7","0.2","","","","","","","","3","C m c m","-C 2c 2","63","","Tetraaluminium diruthenium pentasilicon","","- Al4.09 Ru2 Si4.91 -","- Al4.09 Ru2 Si4.91 -","- Al32.72 Ru16 Si39.28 -","8","0.5","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0111","0.0105","","","0.0268","0.027","","","","","","1.311","","","","has coordinates,has Fobs","287825","2023-11-28","07:33:14",""
"3000198","5.0309","0.0003","12.2147","0.0016","4.2738","0.0004","90","","90","","90","","262.63","0.05","325","6","325","6","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba D0.13 Ge -","- Ba D0.131 Ge -","- Ba4 D0.524 Ge4 -","4","0.25","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","0.033","2.68","","","","","","","has coordinates","211345","2020-10-21","18:00:00",""
"3000209","4.1246","0.0003","12.2302","0.0013","4.1838","0.0003","90","","90","","90","","211.05","0.03","480","2","480","2","200","","200","","","","","3","C m c m","-C 2c 2","63","","","","- D1.576 Ga Nd -","- D1.576 Ga Nd -","- D6.304 Ga4 Nd4 -","4","0.25","","Auer, Henry; Nedumkandathil, Reji; Häussermann, Ulrich; Kohlmann, Holger","The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction","Zeitschrift für anorganische und allgemeine Chemie","2019","645","3","175","","10.1002/zaac.201800459","powder diffraction","","1.86718","neutron","","","","","","","","","7.138","4.971","","","","","","","has coordinates","215536","2020-10-21","18:00:00",""
"3000210","12.36","0.0007","12.2925","0.0013","4.1724","0.0003","90","","90","","90","","633.93","0.09","480","2","480","2","9800","","9800","","","","","3","C m c m","-C 2c 2","63","","","","- D1.67 Ga Nd -","- D1.66667 Ga Nd -","- D20 Ga12 Nd12 -","12","0.75","","Auer, Henry; Nedumkandathil, Reji; Häussermann, Ulrich; Kohlmann, Holger","The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction","Zeitschrift für anorganische und allgemeine Chemie","2019","645","3","175","","10.1002/zaac.201800459","powder diffraction","","1.86718","neutron","","","","","","","","","6.36","5.34","","","","","","","has coordinates","215537","2020-10-21","18:00:00",""
"3000211","4.1656","0.0003","12.0336","0.0009","4.1858","0.0002","90","","90","","90","","209.82","0.02","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- D1.106 Ga Nd -","- D1.106 Ga Nd -","- D4.424 Ga4 Nd4 -","4","0.25","","Auer, Henry; Nedumkandathil, Reji; Häussermann, Ulrich; Kohlmann, Holger","The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction","Zeitschrift für anorganische und allgemeine Chemie","2019","645","3","175","","10.1002/zaac.201800459","powder diffraction","","1.86718","neutron","","","","","","","","","6.76","3.41","","","","","","","has coordinates","215538","2020-10-21","18:00:00",""
"3000235","5.5743","","8.5267","","6.0766","","90","","90","","90","","288.823","","","","","","","","","","","","","3","C m c m","-C 2c 2","","Zn2SiO4","","Zn2SiO4 with Cmcm","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 structure with Cmcm space group at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215370","2020-10-21","18:00:00","2020-04-22"
"3000247","4.5607","0.0006","10.8469","0.0012","3.9039","0.0005","90","","90","","90","","193.12","0.04","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.05 Si -","- Ca D0.047 Si -","- Ca4 D0.188 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","8.06","1.65","","","","","","","has coordinates","219317","2020-10-21","18:00:00",""
"3000248","4.5391","0.0006","10.9521","0.0015","3.9028","0.0006","90","","90","","90","","194.02","0.05","529","","529","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.09 Si -","- Ca D0.092 Si -","- Ca4 D0.368 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.21","1.72","","","","","","","has coordinates","219318","2020-10-21","18:00:00",""
"3000249","4.5406","0.0006","10.943","0.0015","3.9036","0.0006","90","","90","","90","","193.96","0.05","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.1 Si -","- Ca D0.096 Si -","- Ca4 D0.384 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","9.61","1.35","","","","","","","has coordinates","219319","2020-10-21","18:00:00",""
"3000250","4.5206","0.0007","11.0166","0.0014","3.9018","0.0005","90","","90","","90","","194.32","0.05","524","","524","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.13 Si -","- Ca D0.126 Si -","- Ca4 D0.504 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.45","2.19","","","","","","","has coordinates","219320","2020-10-21","18:00:00",""
"3000251","4.5227","0.0005","11.0069","0.001","3.9015","0.0004","90","","90","","90","","194.22","0.03","535","","535","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.14 Si -","- Ca D0.137 Si -","- Ca4 D0.548 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.67","2.18","","","","","","","has coordinates","219321","2020-10-21","18:00:00",""
"3000252","4.5184","0.0005","11.0248","0.001","3.9012","0.0003","90","","90","","90","","194.34","0.03","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.17 Si -","- Ca D0.168 Si -","- Ca4 D0.672 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.71","2.38","","","","","","","has coordinates","219322","2020-10-21","18:00:00",""
"3500046","6.37122","0.00008","20.5603","0.0003","19.6642","0.0003","90","","90","","90","","2575.9","0.06","327","","327","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","6.029","3.447","","","","","","","has coordinates","188673","2020-10-21","18:00:00",""
"3500047","6.4084","0.00005","20.76974","0.00018","19.9888","0.00017","90","","90","","90","","2660.53","0.04","568","","568","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","7.6317","3.73","","","","","","","has coordinates","188674","2020-10-21","18:00:00",""
"4000384","6.976","0.0002","8.102","0.0003","12.7442","0.0005","90","","90","","90","","720.3","0.04","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","Methylammonium Lithium Pyrofluoroberyllate","","","- C H6 Be2 F7 Li2 N -","- C H6 Be2 F7 Li2 N -","- C4 H24 Be8 F28 Li8 N4 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.0267","0.024","","","0.061","0.0623","","","","","","1.078","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000569","5.9112","0.0004","8.975","0.0005","6.5135","0.0005","90","","90","","90","","345.56","0.04","293","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Li O4 V -","- Cd Li O4 V -","- Cd4 Li4 O16 V4 -","4","0.25","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000570","5.9006","0.0005","9.0001","0.0006","6.5877","0.0003","90","","90","","90","","349.85","0.04","293","1","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd1.1111 Li0.7778 O4 V -","- Cd1.1111 Li0.7778 O4 V -","- Cd4.4444 Li3.1112 O16 V4 -","4","0.25","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000693","15.119","0.006","11.23","0.006","8.327","0.006","90","","90","","90","","1413.8","1.4","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H14 I N5 S2 -","- C8 I N4 S2 -","- C32 I4 N16 S8 -","4","0.25","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","0.71073","MoKα","","","0.044","","","0.066","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000695","14.563","0.008","10.561","0.004","8.398","0.002","90","","90","","90","","1291.6","0.9","265","2","265","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H14 Cl N5 S2 -","- C8 Cl N4 S2 -","- C32 Cl4 N16 S8 -","4","0.25","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.54178","CuKα","","","0.0817","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000697","14.771","0.007","10.897","0.004","8.368","0.002","90","","90","","90","","1346.9","0.9","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H14 Br N5 S2 -","- C8 Br N4 S2 -","- C32 Br4 N16 S8 -","4","0.25","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","0.71073","MoKα","","","0.0408","","","0.047","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000865","29.658","0.004","12.608","0.0015","6.99","0.0012","90","","90","","90","","2613.8","0.6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.91EDO-TTF)2PF6","","","- C17.82 H15.64 F6 O4 P S8 -","- C17.82 H7.42 F6 O4 P S8 -","- C71.28 H29.68 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.121","0.0734","","","0.2129","0.2552","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000866","29.662","0.003","12.615","0.0013","6.994","0.0005","90","","90","","90","","2617.1","0.4","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H8 F6 O4 P S8 -","- C72 H32 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0878","0.0696","","","0.2008","0.2183","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000870","29.672","0.003","12.609","0.0014","6.992","0.0004","90","","90","","90","","2615.9","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.97EDO-TTF)2PF6","","","- C17.94 H15.88 F6 O4 P S8 -","- C18 H8 F6 O4 P S8 -","- C72 H32 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0951","0.0789","","","0.2347","0.2596","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001092","3.83","0.001","11.069","0.002","7.157","0.001","90","","90","","90","","303.42","0.11","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C Gd Ru2 Si -","- C Gd Ru2 Si -","- C4 Gd4 Ru8 Si4 -","4","0.25","","Fickenscher, Thomas; Rayaprol, Sudhindra; Appen, Jörg von; Dronskowski, Richard; Pöttgen, Rainer; Łat̀ka, Kazimierz; Gurgul, Jacek","Crystal Structure, Chemical Bonding, and Magnetic Hyperfine Interactions in GdRu2SiC","Chemistry of Materials","2008","20","4","1381","","10.1021/cm7020406","","","0.71073","MoKα","","0.0242","0.0179","","","0.0346","0.0363","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001133","4.2022","0.0013","15.935","0.005","4.0247","0.0012","90","","90","","90","","269.5","0.14","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.98 Sn1.02 Tm -","- Ge0.98 Sn1.02 Tm -","- Ge3.92 Sn4.08 Tm4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0175","0.0173","","","0.0418","0.0419","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001134","3.997","0.0007","15.719","0.003","3.8604","0.0007","90","","90","","90","","242.54","0.08","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge2 Tm -","- Ge2 Tm -","- Ge8 Tm4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0191","0.0185","","","0.0415","0.0416","","","","","","1.253","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001135","4.3005","0.0009","16.441","0.004","4.0944","0.0009","90","","90","","90","","289.49","0.11","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd Ge0.83 Sn1.17 -","- Gd Ge0.831 Sn1.169 -","- Gd4 Ge3.324 Sn4.676 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0204","0.0195","","","0.0471","0.0476","","","","","","1.277","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001136","4.266","0.002","16.293","0.008","4.062","0.002","90","","90","","90","","282.3","0.2","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.89 Sn1.11 Tb -","- Ge0.887 Sn1.113 Tb -","- Ge3.548 Sn4.452 Tb4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0272","0.0237","","","0.057","0.0589","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001137","4.251","0.002","16.197","0.008","4.0584","0.0019","90","","90","","90","","279.4","0.2","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Dy Ge0.91 Sn1.09 -","- Dy Ge0.917 Sn1.083 -","- Dy4 Ge3.668 Sn4.332 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.026","0.0226","","","0.0513","0.0529","","","","","","1.128","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001138","4.2473","0.0018","16.127","0.007","4.0693","0.0017","90","","90","","90","","278.7","0.2","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.9 Ho Sn1.1 -","- Ge0.903 Ho Sn1.097 -","- Ge3.612 Ho4 Sn4.388 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.022","0.0159","","","0.0335","0.0367","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001139","4.209","0.003","16.006","0.01","4.029","0.003","90","","90","","90","","271.4","0.3","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Er Ge0.92 Sn1.08 -","- Er Ge0.921 Sn1.079 -","- Er4 Ge3.684 Sn4.316 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0259","0.0248","","","0.0548","0.0553","","","","","","1.159","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001140","4.2511","0.0014","16.296","0.005","4.0633","0.0013","90","","90","","90","","281.49","0.16","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.86 Sn1.14 Y -","- Ge0.871 Sn1.129 Y -","- Ge3.484 Sn4.516 Y4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0208","0.0204","","","0.0475","0.0478","","","","","","1.209","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001324","15.374","0.001","15.772","0.001","13.715","0.001","90","","90","","90","","3325.6","0.4","","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","0.5","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.1374","0.058","","","0.0629","0.0688","","","","1.9","1.9","1.25","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001403","14.3071","0.0006","6.9965","0.0003","11.451","0.0005","90","","90","","90","","1146.24","0.09","163","2","163","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Khan, M. Ishaque; Yohannes, Elizabeth; Golub, Vladimir O.; O'Connor, Charles J.; Doedens, Robert J.","Mixed-Valence and Neutral Framework Inorganic−Organic Hybrid Materials: Synthesis, Characterization, and Magnetic Properties of [{Co(N(CH)4N)}(V2O5)2] and [{Co(N(CH)4N)}V2O6]","Chemistry of Materials","2007","19","20","4890","","10.1021/cm071415n","","","0.71073","MoKα","","0.0385","0.0381","","","0.1017","0.1019","","","","","","1.308","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001616","13.166","0.004","7.605","0.002","9.496","0.003","90","","90","","90","","950.8","0.5","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga9 Pd3 Yb1.97 -","- Ga9.002 Pd3 Yb1.9742 -","- Ga36.008 Pd12 Yb7.8968 -","4","0.25","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0754","0.0297","","","0.0731","0.0984","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001641","3.8127","0.0004","15.551","0.001","7.039","0.0005","90","","90","","90","","417.35","0.06","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","zirconium palladium silicide","","","- Pd3 Si3 Zr -","- Pd3 Si3 Zr -","- Pd12 Si12 Zr4 -","4","0.25","","Wang, Meitian; Mar, Arthur","The Ternary Silicide ZrPd3Si3, a Stacking Variant of the α-FeSi2and Re3B Structure Types","Chemistry of Materials","1999","11","11","3232","","10.1021/cm990296b","","","0.71073","MoKα","","0.0256","0.0227","","","0.046","0.047","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001726","15.374","","15.772","","13.715","","90","","90","","90","","3325.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ag10 Te4 Br3","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","0.5","","Lange, S.; Nilges, T.","Ag10 Te4 Br3: a new silver(I) (poly)chalcogenide halide solid electrolytes","Chemistry of Materials (1,1989-)","2006","18","","2538","2544","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001854","4.5246","0.0002","21.9437","0.001","13.2001","0.0006","90","","90","","90","","1310.59","0.1","100","2","100","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.106 Si -","- Li4.10625 Si -","- Li65.7 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0171","0.012","","","0.0274","0.0294","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001855","4.5467","0.0009","22.065","0.004","13.24","0.003","90","","90","","90","","1328.3","0.5","298","2","298","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.105 Si -","- Li4.1045 Si -","- Li65.672 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0213","0.0188","","","0.0311","0.0319","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002222","7.386","","22.45399","","14.018","","90","","90","","90","","2324.82","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(C14 N2 H30) (Si18 O36 (O H)2) (H2 O)2","","- C14 O38 Si18 -","- C14 O38 Si18 -","- C28 O76 Si36 -","2","0.125","","Burton, A.; Accardi, R.J.; Lobo, R.F.; Deem, M.W.; Falcioni, M.","MCM-47: a highly crystalline silicate composed of hydrogen-bonded ferrierite layers","Chemistry of Materials (1,1989-)","2000","12","","2936","2942","","","","","","","","","","","","","","","","","","","","","","has coordinates","140492","2020-10-21","18:00:00",""
"4002233","19.202","","5.4561","","5.415","","90","","90","","90","","567.319","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ca2 (Mn2 O7)","","- Ca2 La Mn2 O7 -","- Ca2 La Mn2 O7 -","- Ca8 La4 Mn8 O28 -","4","0.25","","Green, M.A.; Neumann, D.A.","Synthesis, structure and electronic properties of La Ca2 Mn2 O7","Chemistry of Materials (1,1989-)","2000","12","","90","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002311","4.1349","","11.2842","","13.2408","","90","","90","","90","","617.803","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu4 Ga8 Ge16 -","- Eu4 Ga7.9992 Ge16.0008 -","- Eu4 Ga7.9992 Ge16.0008 -","1","0.0625","","Bryan, J.D.; Stucky, G.D.","Eu4 Ga8 Ge16: a new four-coordinate clathrate network","Chemistry of Materials (1,1989-)","2001","13","","253","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002390","18.0176","","20.2835","","7.49243","","90","","90","","90","","2738.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na8.34 (Ga6.998 Si41 O96)","","- Ga6.998 Na8.34 O96 Si41 -","- Ga6.9984 Na8.36 O96 Si41.0016 -","- Ga6.9984 Na8.36 O96 Si41.0016 -","1","0.0625","","Han, B.; Chin, C.-H.; Warrender, S.J.; Camblor, M.A.; Wright, P.A.; Lightfoot, P.; Hong, S.B.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150957","2020-10-21","18:00:00",""
"4002528","10.3093","","15.9456","","7.2219","","90","","90","","90","","1187.19","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","Ga (N H3 (C H2)3 N H3) (P2 O7) F (H2 O)","","- C3 H14 F Ga N2 O8 P2 -","- C3 F Ga N2 O8 P2 -","- C12 F4 Ga4 N8 O32 P8 -","4","0.25","","Millange, F.; Walton, R.I.; Guillou, N.; Loiseau, T.; O'Hare, D.; Ferey, G.","Synthesis and structure of low-dimensional gallium fluorodiphosphates seen during the crystallization of the three-dimensional microporous gallium fluorophosphate ULM-3","Chemistry of Materials (1,1989-)","2002","14","","4448","4459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002589","19.3151","","5.3196","","5.3111","","90","","90","","90","","545.708","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Ca2.8 Th0.2) (Mn2 O7)","","- Ca2.8 Mn2 O7 Th0.2 -","- Ca2.8 Mn2 O7 Th0.2 -","- Ca11.2 Mn8 O28 Th0.8 -","4","0.25","","Lobanov, M.V.; Li Siwen; Greenblatt, M.","Structural, magnetic and transport properties of the two electron-doped Ruddlesden-Popper manganites Ca3-x Thx Mn2 O7","Chemistry of Materials (1,1989-)","2003","15","","1302","1308","","","","","","","","","","","","","","","","","","","","","","has coordinates","160383","2020-10-21","18:00:00",""
"4002630","4.6379","","10.743","","7.464","","90","","90","","90","","371.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Pd In2","","- In2 La Pd -","- In2 La Pd -","- In8 La4 Pd4 -","4","0.25","","Zaremba, V.I.; Kaczorowski, D.; Hoffmann, R.D.; Poettgen, R.; Rodewald, U.C.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002670","4.0576","0.0005","13.6319","0.0016","21.547","0.003","90","","90","","90","","1191.8","0.3","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl La3 P6 Zn4 -","- Cl La3 P6 Zn4 -","- Cl4 La12 P24 Zn16 -","4","0.25","","Wang, Jian; Kaseman, Derrick; Lee, Kathleen; Sen, Sabyasachi; Kovnir, Kirill","Enclathration of X@La4Tetrahedra in Channels of Zn‒P Frameworks in La3Zn4P6X (X = Cl, Br)","Chemistry of Materials","2016","28","13","4741","","10.1021/acs.chemmater.6b01752","","","0.71073","MoKα","","0.0444","0.0313","","","0.0598","0.0644","","","","","","1.067","","","","has coordinates","184804","2020-10-21","18:00:00",""
"4002946","7.82","0.0006","7.8238","0.0006","7.8325","0.0003","90","","90","","90","","479.21","0.06","573","","573","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0231","0.0185","","0.0283","0.0274","","","","1.85","","","","","","","has coordinates","220370","2020-10-21","18:00:00",""
"4002949","7.8393","0.0003","7.8455","0.0004","7.8495","0.0003","90","","90","","90","","482.77","0.04","693","","693","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0296","0.0162","","0.0315","0.0277","","","","1.71","","","","","","","has coordinates","220373","2020-10-21","18:00:00",""
"4003032","24.4853","0.0011","42.1654","0.0014","17.1403","0.0006","90","","90","","90","","17696.2","1.2","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Ethanol","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.0958","0.0706","","","0.1983","0.2197","","","","","","1.066","","","","has coordinates,has disorder","220451","2020-10-21","18:00:00",""
"4003038","26.6952","0.0015","41.2943","0.0011","16.8339","0.0006","90","","90","","90","","18557","1.3","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Toluene","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0962","0.0808","","","0.2438","0.2535","","","","","","1.065","","","","has coordinates,has disorder","220457","2020-10-21","18:00:00",""
"4003584","3.92456","0.00004","15.06245","0.00016","5.63484","0.00006","90","","90","","90","","333.095","0.006","1173","","1173","","","","","","","","","3","C m c m","-C 2c 2","63","","Bismuth Tantalate","","- Bi O4 Ta -","- Bi O4 Ta -","- Bi4 O16 Ta4 -","4","0.25","","Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Kharton, Vladislav V.; Chichineva, Alena I.","Phase Transformations and Thermal Expansion of α- and β-BiTaO4 and the High-Temperature Modification γ-BiTaO4","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00010","powder diffraction","","1.79021","CoKα","","","","","","","","","3.65","2.33","","","","","","","has coordinates","253253","2020-10-21","18:00:00",""
"4003892","22.3435","0.0007","12.9057","0.0004","37.0625","0.0013","90","","90","","90","","10687.3","0.6","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cl54 Rb23 Sb9 -","- Cl54 Rb23 Sb9 -","- Cl216 Rb92 Sb36 -","4","0.25","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","","0.71073","MoKα","","0.1521","0.1322","","","0.3133","0.3279","","","","","","1.191","","","","has coordinates","263263","2021-03-23","23:18:41",""
"4003941","11.055","0.002","22.912","0.005","24.914","0.005","90","","90","","90","","6311","2","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- O232 Si116 -","- O232 Si116 -","- O232 Si116 -","1","0.0625","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","","","0.02508","electron","","0.2133","0.1938","","","0.4486","0.4635","","","","","","1.685","","","","has coordinates","265313","2021-05-18","22:21:33",""
"4003942","11.036236","0.000035","22.98504","0.00017","24.80596","0.00012","90","","90","","90","","6292.49","0.06","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- N0.52 O35.5 Si14.4 -","- N0.52 O35.5 Si14.4 -","- N4.16 O284 Si115.2 -","8","0.5","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","powder diffraction","","","","","","","","","","","","","0.72","","","","","","","has coordinates","265314","2021-05-18","22:22:01",""
"4003943","11.055","0.002","22.912","0.005","24.914","0.005","90","","90","","90","","6311","2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C52 N4 O232 Si116 -","- C52 N4 O232 Si116 -","- C52 N4 O232 Si116 -","1","0.0625","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","","","0.02508","electron","","0.2375","0.2017","","","0.4364","0.4636","","","","","","1.38","","","","has coordinates","265315","2021-05-18","22:22:23",""
"4004003","10.5812","0.0007","17.5448","0.0011","22.7429","0.0016","90","","90","","90","","4222.1","0.5","143","1","143","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C21 Bi2 Br9 N3 -","- C21 Bi2 Br9 N3 -","- C84 Bi8 Br36 N12 -","4","0.25","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1729","0.1472","","","0.3071","0.3209","","","","","","1.235","","","","has coordinates","267565","2021-07-15","22:35:19",""
"4004004","8.8008","0.0018","19.811","0.003","21.429","0.004","90","","90","","90","","3736.2","1.2","347.99","0.1","347.99","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C15 Bi2 Br9 N3 -","- C15 Bi2 Br9 N3 -","- C60 Bi8 Br36 N12 -","4","0.25","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1252","0.0807","","","0.2297","0.2579","","","","","","1.025","","","","has coordinates","267566","2021-07-15","22:35:41",""
"4021890","6.8302","0.0007","21.142","0.002","23.441","0.003","90","","90","","90","","3384.9","0.6","150","1","150","1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31 H34 F12 N4 O P2 S -","- C31 H34 F12 N4 O P2 S -","- C124 H136 F48 N16 O4 P8 S4 -","4","0.25","","Hai-Bo Yang; Neeladri Das; Feihe Huang; Adam M. Hawkridge; David D. Díaz; Atta M. Arif; M. G. Finn; David C. Muddiman; Peter J. Stang","Incorporation of 2,6-Di(4,4'-dipyridyl)-9-thiabicyclo[3.3.1]nonane into Discrete 2D Supramolecules via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2006","71","","6644","6647","10.1021/jo0608117","","","0.71073","MoKα","","0.127","0.0758","","","0.1807","0.2126","","","","","","1.047","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4027821","4.559","","10.764","","7.552","","90","","90","","90","","370.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yb Au In2","","- Au In2 Yb -","- Au In2 Yb -","- Au4 In8 Yb4 -","4","0.25","","Kotzyba, G.; Poettgen, R.; Hoffmann, R.D.; Galadzhun, Ya.V.; Kuennen, B.","EuPdIn2, YbPdIn2, and YbAuIn2: Syntheses, Structures and Properties of New Intermetallic Compounds with Ordered Re3B Type Structure","European Journal of Inorganic Chemistry","1999","1999","","975","979","10.1002/(SICI)1099-0682(199906)1999:6<975::AID-EJIC975>3.0.CO;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030193","5.6283","0.0006","8.6123","0.0008","6.2381","0.0007","90","","90","","90","","302.38","0.05","","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Li Mg O4 V -","- Li Mg O4 V -","- Li4 Mg4 O16 V4 -","4","0.25","","Barbier, Jacques","LiMgVO4 : powder neutron refinement and crystal chemistry","European Journal of Solid State and Inorganic Chemistry","1988","25","","609","619","","powder diffraction","neutron","1.3916","","","","","","","","","","0.046","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030512","6.0357","0.0001","10.3529","0.0002","20.2943","0.0003","90","","90","","90","","1268.13","0.04","","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba2 Bi O6 Ru -","- Ba2 Bi O6 Ru -","- Ba16 Bi8 O48 Ru8 -","8","0.5","","Darriet, J.; Bontchev, R.; Dussarrat, C.; Weill, F.; Darriet, B.","The system BaRuO3-BaBiO3. II. Crystal structure and magnetic properties of Ba2RuBiO6","European Journal of Solid State and Inorganic Chemistry","1993","30","","287","296","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0759","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030619","21.127","0.003","7.665","0.001","7.478","0.001","90","","90","","90","","1211","0.3","","","292","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- F15 Mn Na5 Zr2 -","- F15 Mn Na5 Zr2 -","- F60 Mn4 Na20 Zr8 -","4","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","Crystal structure of Na5MnZr2F15","European Journal of Solid State and Inorganic Chemistry","1994","31","","137","149","","","x-ray","0.71069","MoKα","","","0.031","","","0.034","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030622","23.362","0.001","7.3127","0.0006","8.236","0.001","90","","90","","90","","1407","0.2","","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- F19 H2 La O Th4 -","- F19 La O Th4 -","- F76 La4 O4 Th16 -","4","0.25","","Guery, J.; Gao, Y.; Guery, C.; Jacoboni, C.","Crystal structure of LaTh4F19.H2O","European Journal of Solid State and Inorganic Chemistry","1994","31","","187","196","","","x-ray","0.71069","MoKα","","","0.0398","","","0.0385","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031194","3.869","","11.748","","8.561","","90","","90","","90","","389.123","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cf Cl3 -","- Cf Cl3 -","- Cf4 Cl12 -","4","0.25","","Burns, J.H.; Baybarz, R.D.; Peterson, J.R.","Hexagonal and orthorhombic crystal structures of californium trichloride","Journal of Inorganic and Nuclear Chemistry","1973","35","","1171","1177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031244","6.958","","12.042","","7.605","","90","","90","","90","","637.21","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb2 (U F6)","","- F6 Rb2 U -","- F6 Rb2 U -","- F24 Rb8 U4 -","4","0.25","","Kruse, F.H.","The crystal structure of Rb2 U F6","Journal of Inorganic and Nuclear Chemistry","1971","33","","1625","1627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031473","6.476","","12.536","","8.686","","90","","90","","90","","705.157","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na2 S (H2 O)5","","- H10 Na2 O5 S -","- H10 Na2 O5 S -","- H40 Na8 O20 S4 -","4","0.25","","Mereiter, K.; Mikenda, W.; Preisinger, A.; Zellner, A.; Steidl, H.","Hydrogen bonds in Na2 S (H2 O)5. X-ray diffraction and vibrational spectroscopic study","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","1275","1277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4033730","22.736","0.004","8.2462","0.0011","8.0625","0.0011","90","","90","","90","","1511.6","0.4","93","2","93","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C64 H84 N20 -","4","0.25","","Watanabe, Hiroyuki; Tanaka, Kazuo; Chujo, Yoshiki","Independently Tuned Frontier Orbital Energy Levels of 1,3,4,6,9b-Pentaazaphenalene Derivatives by the Conjugation Effect.","The Journal of organic chemistry","2019","84","5","2768","2778","10.1021/acs.joc.8b03161","","","0.71075","MoKα","","0.1055","0.0702","","","0.1713","0.1899","","","","","","1.052","","","","has coordinates","222305","2020-10-21","18:00:00",""
"4060430","14.899","0.001","12.31","0.001","19.894","0.001","90","","90","","90","","3648.7","0.4","140","1","140","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H39 Cl9 Si2 Sn2 Zr2 -","- C15 H39 Cl9 Si2 Sn2 Zr2 -","- C60 H156 Cl36 Si8 Sn8 Zr8 -","4","0.25","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0434","","","0.1094","","","","","","","","","","","has coordinates","133678","2020-10-21","18:00:00",""
"4060431","14.86","0.001","12.28","0.001","19.901","0.002","90","","90","","90","","3631.6","0.5","140","1","140","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H39 Cl9 Hf2 Si2 Sn2 -","- C15 H39 Cl9 Hf2 Si2 Sn2 -","- C60 H156 Cl36 Hf8 Si8 Sn8 -","4","0.25","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0579","","","0.142","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4061638","17.797","0.0019","6.8129","0.0007","15.6369","0.0017","90","","90","","90","","1896","0.3","163","2","163","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C19 H29 Cl U -","- C19 H29 Cl U -","- C76 H116 Cl4 U4 -","4","0.25","","Wiliam J. Evans","Synthesis and Structure of the Tetramethylcyclopentadienyl Uranium Metallocenes, (C5Me4H)2UMe2, (C5Me4H)2UMeCl, [(C5Me4H)2U][(µ-Ph)2BPh2], and [(C5Me4)SiMe2(CH2CH=CH2)]2UI(THF)","Organometallics","2005","","","","","10.1021/om050462r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061926","10.7471","0.0013","16.1172","0.0018","18.29","0.002","90","","90","","90","","3168.1","0.6","223","2","223","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C34 H34 Cr4 O2 P2 S2 -","- C36 H34 Cr4 O2 P2 S2 -","- C144 H136 Cr16 O8 P8 S8 -","4","0.25","","Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong","Phosphinidene- and Phosphido-bridged Complexes from a Arylthioxophosphane Cyclopentadienylchromium Complex","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063257","8.111","0.005","26.229","0.005","11.966","0.01","90","","90","","90","","2546","3","173","2","173","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C8 H5 B2 F9 K N O -","- C8 H3 B2 F9 K N O -","- C64 H24 B16 F72 K8 N8 O8 -","8","0.5","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0723","0.0508","","","0.1365","0.152","","","","","","1.067","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4065338","17.8054","0.0006","16.6983","0.0007","13.596","0.0006","90","","90","","90","","4042.4","0.3","123","2","123","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C40 H66 N4 Ru2 -","- C40 N4 Ru2 -","- C160 N16 Ru8 -","4","0.25","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.0592","0.0554","","","0.1487","0.1526","","","","","","1.065","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4066892","16.888","0.01","11.023","0.007","9.623","0.006","90","","90","","90","","1791.4","1.9","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C19 H28 N -","- C19 H28 N -","- C76 H112 N4 -","4","0.25","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Howe, Laurie A.","Fragmentation of an N-Substituted One-Coordinate Phosphorus (Phosphaalkyne): Plausible Generation of Monovalent Phosphorus Species†","Organometallics","2010","29","18","4154","","10.1021/om100691g","","","0.71073","MoKα","","0.1236","0.0717","","","0.1705","0.1993","","","","","","1.103","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4074158","18.0127","0.0007","9.3522","0.0004","20.0134","0.0007","90","","90","","90","","3371.4","0.2","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C16 H40 O4 Zn4 -","- C16 H44 O4 Zn4 -","- C64 H176 O16 Zn16 -","4","0.25","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0529","0.0459","","","0.1053","0.108","","","","","","1.133","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4075902","9.3917","0.0002","14.2228","0.0003","18.0534","0.0003","90","","90","","90","","2411.51","0.08","143","2","143","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H22 Au I5 N2 -","- C14 H22 Au I5 N2 -","- C56 H88 Au4 I20 N8 -","4","0.25","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0225","0.0224","","","0.0526","0.0527","","","","","","1.282","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4076000","10.4586","0.001","11.5544","0.0011","26.008","0.003","90","","90","","90","","3142.9","0.6","193","2","193","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C12 H15 Cr F6 O3 P -","- C12 H15 Cr F6 O3 P -","- C96 H120 Cr8 F48 O24 P8 -","8","0.5","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0576","0.0448","","","0.111","0.1189","","","","","","1.05","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076821","21.576","0.0012","12.9704","0.0007","17.734","0.0008","90","","90","","90","","4962.8","0.4","133","2","133","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C41 H78 Br3 Mg2 N8 Sc -","- C41 H77 Br3 Mg2 N8 Sc -","- C164 H308 Br12 Mg8 N32 Sc4 -","4","0.25","","Neculai, Ana Mirela; Neculai, Dante; Roesky, Herbert W.; Magull, Jörg; Baldus, Marc; Andronesi, Ovidiu; Jansen, Martin","Stabilization of a Diamagnetic ScIBr Molecule in a Sandwich-Like Structure†","Organometallics","2002","21","13","2590","","10.1021/om020090b","","","0.71073","MoKα","","0.0346","0.0315","","","0.0849","0.0867","","","","","","1.107","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4079259","20.475","0.005","15.838","0.004","13.143","0.003","90","","90","","90","","4262.1","1.8","93","2","93","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C42 H60 B Cu F4 N4 -","- C42 H60 B Cu F4 N4 -","- C168 H240 B4 Cu4 F16 N16 -","4","0.25","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.0679","0.0557","","","0.1495","0.1616","","","","","","0.793","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079642","17.304","0.004","17.373","0.004","14.898","0.004","90","","90","","90","","4478.7","1.9","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C35 H54 Br Fe N5 O3 -","- C35 H19 Br Fe N5 O3 -","- C140 H76 Br4 Fe4 N20 O12 -","4","0.25","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.1088","0.0781","","","0.2311","0.2513","","","","","","1.106","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4085258","20.468","0.005","16.201","0.003","13.14","0.003","90","","90","","90","","4357.3","1.7","93","","93","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C42 H60 Ag B F4 N4 -","- C42 H60 Ag B F4 N4 -","- C168 H240 Ag4 B4 F16 N16 -","4","0.25","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0416","","","","0.1182","","","","","","0.744","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085263","20.549","0.005","15.982","0.004","13.157","0.003","90","","90","","90","","4320.9","1.8","173","","173","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C42 H62 Au B F4 N4 -","- C42 H62 Au B F4 N4 -","- C168 H248 Au4 B4 F16 N16 -","4","0.25","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0231","","","","0.0504","","","","","","1.047","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4086076","15.75","0.008","18.4","0.009","17.337","0.008","90","","90","","90","","5024","4","296","2","296","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C40 H54 Cl4 F12 Fe2 N2 P2 S2 -","- C40 H54 Cl4 F12 Fe2 N2 P2 S2 -","- C160 H216 Cl16 F48 Fe8 N8 P8 S8 -","4","0.25","","Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping","Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes","Organometallics","2015","34","14","3571","","10.1021/acs.organomet.5b00387","","","0.71073","MoKα","","0.1324","0.0709","","","0.1367","0.1604","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4087630","11.2351","0.0006","14.6065","0.0008","21.784","0.0012","90","","90","","90","","3574.9","0.3","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C30 H63 Cl N2 O3 Os P2 -","- C30 H63 Cl N2 O3 Os P2 -","- C120 H252 Cl4 N8 O12 Os4 P8 -","4","0.25","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.0234","0.0228","","","0.0553","0.0556","","","","","","1.086","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087673","9.8695","0.0006","11.3999","0.0007","5.6115","0.0003","90","","90","","90","","631.36","0.06","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C6 Ag F5 -","- C6 Ag F5 -","- C24 Ag4 F20 -","4","0.25","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0264","0.0176","","","0.04","0.0438","","","","","","1.079","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4100319","11.514","0.003","25.738","0.005","25.254","0.005","90","","90","","90","","7484","3","193","2","193","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C44 H32 Br12 Fe10 N13 -","- C44 H32 Br12 Fe10 N13 -","- C176 H128 Br48 Fe40 N52 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4103141","12.863","0.01","19.259","0.015","3.596","0.003","90","","90","","90","","890.8","1.2","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl H10 O9 Yb3 -","- O7 Yb3 -","- O28 Yb12 -","4","0.25","","Helen V. Goulding; Sarah E. Hulse; William Clegg; Ross W. Harrington; Helen Y. Playford; Richard I. Walton; Andrew M. Fogg","Yb3O(OH)6Cl.2H2O: An Anion-Exchangeable Hydroxide with a Cationic Inorganic Framework Structure","Journal of the American Chemical Society","2010","132","","13618","13620","10.1021/ja104636x","","","0.6889","synchrotron","","0.0749","0.0582","","","0.1418","0.1485","","","","","","0.986","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103313","9.717","0.001","9.211","0.0009","6.035","0.0005","90","","90","","90","","540.15","0.09","150","2","150","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C5 H4 O4 -","- C5 H4 O4 -","- C20 H16 O16 -","4","0.25","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.039","0.0324","","","0.0807","0.0851","","","","","","1.105","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103718","15.4819","0.0007","16.6244","0.0008","15.6247","0.0007","90","","90","","90","","4021.4","0.3","223","2","223","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C36 H72 N4 W -","- C36 H72 N4 W -","- C144 H288 N16 W4 -","4","0.25","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0205","0.0194","","","0.0507","0.0516","","","","","","1.068","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4107604","34.476","0.003","19.8768","0.0017","14.8594","0.0008","90","","90","","90","","10182.7","1.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ge39.56 N16 O118 Si12.44 -","- Ge39.564 N16 O118 Si12.436 -","- Ge79.128 N32 O236 Si24.872 -","2","0.125","","Kirsten E. Christensen; Charlotte Bonneau; Mikaela Gustafsson; Lei Shi; Junliang Sun; Jekabs Grins; Kjell Jansson; Isabelle Sbille; Bao-Lian Su; Xiadong Zou","An Open-Framework Silicogermanate with 26-Ring Channels Built from Seven-Coordinated (Ge,Si)10(O,OH)28 Clusters","Journal of the American Chemical Society","2008","130","","3758","3759","10.1021/ja8002556","","x-ray","0.907","synchrotron","","0.0701","0.0563","","","0.1496","0.159","","","","","","1.046","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4108693","18.7599","0.0013","13.4186","0.0009","13.8694","0.0008","90","","90","","90","","3491.4","0.4","193","2","193","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- C56 Cl10 -","- C56 Cl10 -","- C224 Cl40 -","4","0.25","","Yuan-Zhi Tan; Xiao Han; Xin Wu; Ye-Yong Meng; Feng Zhu; Zhuo-Zhen Qian; Zhao-Jiang Liao; Ming-Hui Chen; Xin Lu; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","An Entrant of Smaller Fullerene: C56 Captured by Chlorines and Aligned in Linear Chains","Journal of the American Chemical Society","2008","130","","15240","15241","10.1021/ja806352v","","","0.71073","MoKα","","0.0742","0.0408","","","0.0819","0.0872","","","","","","0.892","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108798","11.5086","0.0005","22.173","0.0009","25.2558","0.0011","90","","90","","90","","6444.8","0.5","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","Zeolite ITQ-34","","","- Ge0.09 O2 Si0.91 -","- Ge0.0959286 O2 Si0.904071 -","- Ge10.744 O224 Si101.256 -","112","7","","Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jorda; Fernando Rey; German Sastre; Karl G. Strohmaier","A Zeolitic Structure (ITQ-34) with Connected 9- and 10-Ring Channels Obtained with Phosphonium Cations as Structure Directing Agents","Journal of the American Chemical Society","2008","130","","16482","16483","10.1021/ja806903c","powder diffraction","","","CuKα","","","","","","","","","6.2573","","","","","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4110068","14.3108","0.0004","6.9979","0.0009","11.4476","0.0007","90","","90","","90","","1146.43","0.17","12","1","12","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Bangbo Yan; Marilyn M. Olmstead; Paul A. Maggard","Effect of Spin-Ladder Topology on 2D Charge Ordering: Toward New Spin-Antiferroelectric Transitions","Journal of the American Chemical Society","2007","129","","12646","12647","10.1021/ja0754709","","","0.71073","MoKα","","0.0371","0.033","","","0.0785","0.079","","","","","","1.341","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110594","9.04","0.0004","10.49","0.0005","13.924","0.0008","90","","90","","90","","1320.41","0.11","298","","","","","","","","","","Local laboratory","6","C m c m","-C 2c 2","63","","","","- C6 H2 Cl4 In N2 S4 -","- C8 H2.66667 Cl5.33333 In1.33333 N2.66667 S5.33333 -","- C24 H8 Cl16 In4 N8 S16 -","3","0.1875","","Wataru Fujita; Kunio Awaga; Ryusuke Kondo; Seiichi Kagoshima","A One-Dimensional Coordination Polymer, BBDTA.InCl4: Possible Spin-Peierls Transition with High Critical Temperature of 108 K","Journal of the American Chemical Society","2006","128","","6016","6017","10.1021/ja060979+","","","0.71073","MoKα","","0.0433","0.0431","","","0.1172","0.1174","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110939","4.2862","0.0006","25.304","0.003","4.2883","0.0004","90","","90","","90","","465.1","0.1","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ho Te3 -","- Ho Te3 -","- Ho4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0415","0.0415","","","0.1217","0.1217","","","","2.97","2.97","2.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110940","4.2772","0.0008","25.275","0.006","4.2787","0.0008","90","","90","","90","","462.55","0.16","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Te3 -","- Er Te3 -","- Er4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0616","0.0591","","","0.1764","0.177","","","","3.73","3.73","3.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110941","4.2718","0.0005","25.19","0.003","4.2804","0.0007","90","","90","","90","","460.6","0.11","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Te3 Tm -","- Te3 Tm -","- Te12 Tm4 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0312","0.0312","","","0.1259","0.1259","","","","3.02","3.02","3.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110942","4.402","0.003","25.72","0.02","4.36","0.003","90","","90","","90","","493.6","0.6","","","500","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd Te3 -","- Nd Te3 -","- Nd4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0249","0.0243","","","0.074","0.0741","","","","1.68","1.68","1.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110943","4.3343","0.0013","25.674","0.01","4.347","0.0015","90","","90","","90","","483.7","0.3","","","500","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sm Te3 -","- Sm Te3 -","- Sm4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0281","0.0269","","","0.0698","0.0701","","","","1.58","1.58","1.55","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111655","16.9601","0.001","6.23599","0.00029","7.28294","0.00033","90","","90","","90","","770.27","0.07","","","293","2","","","","","","","","5","C m c m","-C 2c 2","63","Hydrated Copper(II) bispyrazolate","catena-aquo-(bis(μ~2~-pyrazolato)-copper(ii))","","- C6 H8 Cu N4 O -","- C6 Cu N4 O -","- C24 Cu4 N16 O4 -","4","0.25","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114682","6.3322","0.0006","28.667","0.003","4.3637","0.0004","90","","90","","90","","792.12","0.13","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium lead bismuth telluride (0.85/0.85/3.15/6)","","- Bi3.15 Cs0.85 Pb0.85 Te6 -","- Bi2 Cs0.42 Te3 -","- Bi8 Cs1.68 Te12 -","4","0.25","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0475","0.0391","","","0.1049","0.1095","","","","","","1.153","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114683","4.3456","0.0006","32.476","0.005","12.5075","0.0018","90","","90","","90","","1765.2","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium lead bismuth telluride (0.91/1.91/3.09/7)","","- Bi3.09 Cs0.91 Pb1.91 Te7 -","- Bi2.5 Cs0.455 Te3.5 -","- Bi20 Cs3.64 Te28 -","8","0.5","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0489","0.041","","","0.1131","0.1179","","","","","","1.062","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114684","6.2613","0.0007","28.479","0.003","4.3207","0.0005","90","","90","","90","","770.45","0.15","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium tin bismuth telluride (0.84/0.84/3.16/6)","","- Bi3.16 Cs0.84 Sn0.84 Te6 -","- Bi1.58 Cs0.42 Sn0.42 Te3 -","- Bi6.32 Cs1.68 Sn1.68 Te12 -","4","0.25","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0557","0.0467","","","0.1358","0.1412","","","","","","1.213","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114685","4.3881","0.0006","33.139","0.004","12.6075","0.0016","90","","90","","90","","1833.3","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","cesium tin bismuth telluride (0.88/1.88/3.12/7)","","- Bi3.12 Cs0.88 Sn1.88 Te7 -","- Bi1.558 Cs0.44 Sn0.942 Te3.5 -","- Bi12.464 Cs3.52 Sn7.536 Te28 -","8","0.5","","Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis","CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures","Journal of the American Chemical Society","2002","124","","2410","2411","10.1021/ja017602i","","","0.71073","MoKα","","0.0487","0.0353","","","0.0872","0.0922","","","","","","1.018","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4115317","11.7282","0.0008","20.3541","0.0013","14.4856","0.001","90","","90","","90","","3458","0.4","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba3 Na O9 Ru2 -","- Ba3 Na O9 Ru2 -","- Ba48 Na16 O144 Ru32 -","16","1","","Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye","Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition","Journal of the American Chemical Society","2002","124","","13877","13885","10.1021/ja0271781","","","0.71073","MoKα","","0.0377","0.0331","","","0.0846","0.0869","","","","","","1.092","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115499","7.5299","0.0006","12.4646","0.001","21.4301","0.0018","90","","90","","90","","2011.4","0.3","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","bis(guanidinium)-1,4-benzenedisulfonate, tetrahydrofuran clathrate","","","- C12 H24 N6 O7 S2 -","- C12 H24 N6 O7 S2 -","- C48 H96 N24 O28 S8 -","4","0.25","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0333","0.0318","","","0.0875","0.0883","","","","","","1.097","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115913","24.797","0.006","8.594","0.002","5.6891","0.0009","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti2.68 Zr4.32 -","- Sb7 Ti2.68 Zr4.32 -","- Sb28 Ti10.72 Zr17.28 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.1149","0.0365","","0.0787","0.0679","","","","0.592","0.838","0.838","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115914","24.658","0.002","8.5431","0.0008","5.6754","0.0005","90","","90","","90","","1195.56","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti3.34 Zr3.66 -","- Sb7 Ti3.332 Zr3.668 -","- Sb28 Ti13.328 Zr14.672 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.0511","0.0293","","0.0569","0.055","","","","0.748","0.914","0.914","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115915","24.558","0.002","8.5206","0.0009","5.6669","0.0005","90","","90","","90","","1185.79","0.19","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti3.84 Zr3.16 -","- Sb7 Ti3.848 Zr3.152 -","- Sb28 Ti15.392 Zr12.608 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.0496","0.029","","0.06","0.0579","","","","0.769","0.932","0.932","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116342","12.014","0.002","7.219","0.002","15.805","0.002","90","","90","","90","","1370.8","0.5","150","1","150","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0542","0.0371","","0.0994","0.0917","","","","1.096","1.117","1.117","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116343","11.998","0.004","7.203","0.006","15.736","0.005","90","","90","","90","","1359.9","1.3","100","1","100","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0522","0.0393","","0.0966","0.0912","","","","1.069","1.124","1.124","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116345","12.015","0.002","7.226","0.002","15.766","0.003","90","","90","","90","","1368.8","0.5","139","1","139","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.051","0.0334","","","0.0822","0.0859","","","","","","0.997","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116347","12.0338","0.0011","7.2535","0.001","15.9377","0.0013","90","","90","","90","","1391.2","0.3","223","1","223","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0416","0.0313","","","0.0858","0.0895","","","","","","1.12","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116348","12.006","0.002","7.215","0.002","15.809","0.003","90","","90","","90","","1369.4","0.5","148","2","148","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0784","0.0434","","","0.0952","0.102","","","","","","1.033","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116349","12.0323","0.0015","7.2266","0.0012","15.661","0.006","90","","90","","90","","1361.8","0.6","13","3","13","3","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C5 H14 N7 Ni0.25 O5 -","- C20 H56 N28 Ni O20 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","neutron","","neutron","","","0.069","","","0.045","","","","","","","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116474","18.951","0.004","20.784","0.004","15.81","0.003","90","","90","","90","","6227","2","130","2","130","2","","","","","","","","5","C m c m","-C 2c 2","63","C~60~^.^ClFe(OEP)^.^CHCl~3~","","","- C97 H45 Cl4 Fe N4 -","- C97 H48 Cl4 Fe N4 -","- C388 H192 Cl16 Fe4 N16 -","4","0.25","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.144","0.1258","","","0.3252","0.3435","","","","","","1.052","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116975","7.6228","0.0005","23.336","0.002","7.7887","0.0004","90","","90","","90","","1385.5","0.17","153","2","153","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H16 F6 Mo P -","- C12 H16 F6 Mo P -","- C48 H64 F24 Mo4 P4 -","4","0.25","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0375","","0.0967","0.0964","","","","1.125","1.13","1.13","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4117071","12.05","0.002","7.266","0.002","15.971","0.002","90","","90","","90","","1398.3","0.5","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H32 N20 Ni2 O12 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0285","0.0265","","0.0756","0.0743","","","","1.158","1.171","1.171","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4119070","5.69","","8.881","","9.1","","90","","90","","90","","459.849","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Al B24 C4","","- C4 B24 -","- C4 B24 -","- C8 B48 -","2","0.125","","Giese, R.F.jr.; Matkovich, V.I.; Economy, J.","Presence of carbon in aluminum borides","Journal of the American Chemical Society","1964","86","","2337","2340","10.1021/ja01066a007","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122273","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C330 H480 Cd35 N30 O60 Se20 -","- Cd35 Se20 -","- Cd140 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2288","0.1822","","","0.4715","0.4977","","","","","","1.535","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122274","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C242 H352 Cd31 N22 O44 Se20 -","- Cd31 Se20 -","- Cd124 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2458","0.1969","","","0.4961","0.5222","","","","","","1.639","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122286","18.0353","0.0006","28.636","0.001","21.3624","0.0007","90","","90","","90","","11032.8","0.6","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C86 H70 F36 N8 P6 -","- C78 H65 F36 N8 P6 -","- C312 H260 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1415","0.1076","","","0.3413","0.3671","","","","","","1.435","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122288","18.0778","0.0018","28.704","0.002","21.242","0.002","90","","90","","90","","11022.6","1.7","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C90 H72 F36 N8 P6 -","- C90 H71.5 F36 N8 P6 -","- C360 H286 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1233","0.0819","","","0.2204","0.2455","","","","","","1","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122289","18.0422","0.0007","28.4947","0.0014","21.5301","0.0007","90","","90","","90","","11068.8","0.8","100.15","","100.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C70 H60 F36 N8 P6 -","- C70 H60 F36 N8 P6 -","- C280 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","0.71073","MoKα","","0.115","0.0954","","","0.3324","0.3527","","","","","","1.406","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122293","18.0851","0.0005","28.5005","0.0008","21.5707","0.0006","90","","90","","90","","11118.3","0.5","100","2","99.99","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C77 H67 F36 N9 P6 -","- C77 H67 F36 N9 P6 -","- C308 H268 F144 N36 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0924","0.0696","","","0.2293","0.241","","","","","","1.055","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122295","18.1567","0.0008","28.6627","0.0013","21.1615","0.001","90","","90","","90","","11012.9","0.9","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C79 H66 F36 N8 P6 -","- C79 H60 F36 N8 P6 -","- C316 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1153","0.0958","","","0.3104","0.3321","","","","","","1.443","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122858","11.2399","0.0001","13.8423","0.0001","20.2363","0.0002","90","","90","","90","","3148.49","0.05","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C31 H36 B N2 O5 Re -","- C31 H36 B N2 O5 Re -","- C124 H144 B4 N8 O20 Re4 -","4","0.25","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0183","0.0183","","0.0483","0.0483","0.0483","","","","","","1.0251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123540","7.69","0.009","17.32","0.02","6.498","0.007","90","","90","","90","","865.5","1.7","313","2","313","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H10 Cl3 Mn N -","- C4 H10 Cl3 Mn N -","- C16 H40 Cl12 Mn4 N4 -","4","0.25","","Zhang, Yi; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Chen, Zhong-Ning; Xiong, Ren-Gen","Highly Efficient Red-Light Emission in An Organic-Inorganic Hybrid Ferroelectrics: (Pyrrolidinium)MnCl3.","Journal of the American Chemical Society","2015","","","150327131753005","","10.1021/jacs.5b01680","","","0.71073","MoKα","","0.045","0.0429","","","0.1247","0.1261","","","","","","1.241","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4124087","3.804","","9.6486","","9.8688","","90","","90","","90","","362.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ti2.85 O4 N","","- N O4 Ti2.85 -","- N O4 Ti2.849 -","- N4 O16 Ti11.396 -","4","0.25","","Hyett, G.; Green, M.A.; Parkin, I.P.","The use of combinatorial chemical vapor deposition in the synthesis of Ti(3-delta) O4 N with 0.06 < delta < 0.25: a titanium oxynitride phase isostructural to anosovite","Journal of the American Chemical Society","2007","129","","15541","15548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124455","5.687","","15.168","","12.909","","90","","90","","90","","1113.54","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","Ir (C O)3 Cl","","- Ir -","- Ir -","- Ir8 -","8","0.5","","Reis, A.H.jr.; Hagley, V.S.; Peterson, S.W.","Stabilization of one-dimensional conducting materials by carbonyl ligands. Crystal structure and molecular structure of Ir (C O)3 Cl","Journal of the American Chemical Society","1977","99","","4184","4186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124496","3.7418","","12.278","","19.77","","90","","90","","90","","908.27","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Lu7 Te -","- Lu7 Te -","- Lu28 Te4 -","4","0.25","","Chen Ling; Corbett, J.D.","Lu8 Te and Lu7 Te. Novel substitutional derivatives of lutetium metal","Journal of the American Chemical Society","2003","125","","7794","7795","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124712","2.858","","5.876","","4.955","","90","","90","","90","","83.212","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","","","- U -","- U -","- U4 -","4","0.25","","Jacob, C.W.; Warren, B.E.","The crystalline structure of uranium","Journal of the American Chemical Society","1937","59","","2588","2588","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124713","2.852","","5.865","","4.945","","90","","90","","90","","82.715","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","","","- U -","- U -","- U4 -","4","0.25","","Jacob, C.W.; Warren, B.E.","The crystalline structure of uranium","Journal of the American Chemical Society","1937","59","","2588","2591","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124800","24.797","","8.594","","6.6891","","90","","90","","90","","1425.48","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr4.3 Ti2.7 Sb7","","- Sb7 Ti2.7 Zr4.3 -","- Sb7 Ti2.68 Zr4.32 -","- Sb28 Ti10.72 Zr17.28 -","4","0.25","","Kleinke, H.","Zr1-x Tix Sb: A novel antimonide on the quasibinary section Zr Sb - Ti Sb with a complex crystal structure exhibiting linear Sb chains and fragments of the Ti Sb structure","Journal of the American Chemical Society","2000","122","","853","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","173392","2020-10-21","18:00:00",""
"4126030","3.9986","0.0008","6.92","0.0014","23.184","0.005","90","","90","","90","","641.5","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi2.17 Cd1.83 K1.83 S6 -","- Bi2.168 Cd1.828 K1.834 S6 -","- Bi4.336 Cd3.656 K3.668 S12 -","2","0.125","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0355","0.0298","","","0.0732","0.076","","","","","","1.221","","","","has coordinates","196650","2020-10-21","18:00:00",""
"4126031","3.9968","0.0008","6.9243","0.0014","23.7","0.005","90","","90","","90","","655.9","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi2.46 Cd1.54 Rb1.53 S6 -","- Bi2.4748 Cd1.5268 Rb1.522 S6 -","- Bi4.9496 Cd3.0536 Rb3.044 S12 -","2","0.125","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0597","0.0556","","","0.1155","0.1175","","","","","","1.23","","","","has coordinates","196651","2020-10-21","18:00:00",""
"4126032","4.1363","0.0008","7.1476","0.0014","25.047","0.005","90","","90","","90","","740.5","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi5.74 Cd2.26 Cs2.27 Se12 -","- Bi5.736 Cd2.2632 Cs2.268 Se12 -","- Bi5.736 Cd2.2632 Cs2.268 Se12 -","1","0.0625","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0569","0.0488","","","0.1029","0.1078","","","","","","1.226","","","","has coordinates","196652","2020-10-21","18:00:00",""
"4126394","23.1961","0.0004","19.203","0.0004","13.8123","0.0003","90","","90","","90","","6152.5","0.2","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H56 B11 Br N4 Si2 -","- C32 H56 B11 Br N4 Si2 -","- C128 H224 B44 Br4 N16 Si8 -","4","0.25","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.065","0.0504","","","0.1456","0.1534","","","","","","1.058","","","","has coordinates","200847","2020-10-21","18:00:00",""
"4126954","8.964","0.009","9.618","0.009","14.158","0.013","90","","90","","90","","1221","2","360","","360","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.25","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0795","0.0636","","","0.1943","0.2068","","","","","","1.114","","","","has coordinates,has disorder","204642","2020-10-21","18:00:00",""
"4127330","7.3044","0.0008","12.6494","0.0013","13.368","0.0013","90","","90","","90","","1235.2","0.2","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 Co Dy N6 O4 -","- C6 Co Dy N6 O4 -","- C24 Co4 Dy4 N24 O16 -","4","0.25","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.1688","0.1636","","","0.3041","0.3061","","","","","","1.455","","","","has coordinates","220597","2020-10-21","18:00:00",""
"4127331","7.3151","0.0005","12.6818","0.001","13.5464","0.0009","90","","90","","90","","1256.68","0.16","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 Co Dy N6 O4 -","- C6 H8 Co Dy N6 O4 -","- C24 H32 Co4 Dy4 N24 O16 -","4","0.25","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.0441","0.0398","","","0.0647","0.0655","","","","","","1.292","","","","has coordinates","220598","2020-10-21","18:00:00",""
"4127976","31.6822","0.0004","23.4638","0.0002","27.1118","0.0004","90","","90","","90","","20154.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H80 O110 Zr25 -","- H80 O110 Zr25 -","- H320 O440 Zr100 -","4","0.25","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1614","0.1645","","","","","","1.049","","","","has coordinates,has disorder","221118","2020-10-21","18:00:00",""
"4128208","39.4594","0.0013","8.4214","0.0002","8.3557","0.0002","90","","90","","90","","2776.63","0.13","355","2","355","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.25","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","1.54184","CuKα","","0.0615","0.0543","","","0.1512","0.1646","","","","","","1.052","","","","has coordinates","221338","2020-10-21","18:00:00",""
"4128358","13.429","0.003","6.695","0.002","7.259","0.002","90","0.03","90","0.03","90","0.03","652.6","0.3","88","2","88","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H N3 O3 Rb2 -","- C3 H N3 O3 Rb2 -","- C12 H4 N12 O12 Rb8 -","4","0.25","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0683","0.062","","","0.1721","0.1781","","","","","","1.21","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4128441","3.313","0.002","9.985","0.006","13.4","0.008","90","","90","","90","","443.3","0.5","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B2 Li2 Na2 O5 -","- B2 Li2 Na2 O5 -","- B8 Li8 Na8 O20 -","4","0.25","","Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li<sub>2</sub>Na<sub>2</sub>B<sub>2</sub>O<sub>5</sub> Material with an Unvalued B<sub>2</sub>O<sub>5</sub> Functional Gene.","Journal of the American Chemical Society","2019","141","7","3258","3264","10.1021/jacs.8b13402","","","0.71073","MoKα","","0.0358","0.0304","","","0.0824","0.0853","","","","","","1.174","","","","has coordinates","221545","2020-10-21","18:00:00",""
"4128576","21.948","0.004","30.273","0.006","31.103","0.006","90","","90","","90","","20666","7","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C552 H408 As24 Cl24 F144 N88 Pd24 -","4","0.25","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1534","0.1278","","","0.3265","0.3485","","","","","","1.074","","","","has coordinates,has disorder","221656","2020-10-21","18:00:00",""
"4129570","7.47","0.005","17.642","0.003","6.515","0.002","90","","90","","90","","858.6","0.6","413","2","413","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 Mn N -","- C4 H7 Cl3 Mn N -","- C16 H28 Cl12 Mn4 N4 -","4","0.25","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0364","0.0301","","","0.0801","0.0828","","","","","","1.111","","","","has coordinates","240267","2020-10-21","18:00:00",""
"4131998","16.9982","0.0008","11.0287","0.0005","21.318","0.0011","90","","90","","90","","3996.4","0.3","293","2","293.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C80 H96 Cu8 F48 N80 O8 Si8 -","4","0.25","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","","","0.71073","MoKα","","0.0631","0.0496","","","0.1324","0.14","","","","","","1.054","","","","has coordinates","242040","2020-10-21","18:00:00",""
"4132446","39.303","0.004","8.4726","0.0004","8.4483","0.0005","90","","90","","90","","2813.3","0.4","330","2","330","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.25","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.0678","0.0453","","","0.1164","0.1304","","","","","","1.03","","","","has coordinates","242428","2020-10-21","18:00:00",""
"4134274","8.654","0.0004","18.8523","0.0011","8.0744","0.0004","90","","90","","90","","1317.32","0.12","308","2","308","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0949","0.091","","","0.2657","0.2688","","","","","","1.109","","","","has coordinates","248541","2020-10-21","18:00:00",""
"4134275","8.7441","0.0014","19.056","0.003","8.0199","0.0009","90","","90","","90","","1336.3","0.3","403","2","403","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1304","0.1049","","","0.2548","0.2796","","","","","","1.074","","","","has coordinates","248542","2020-10-21","18:00:00",""
"4134279","8.7153","0.0003","18.443","0.0007","8.1281","0.0003","90","","90","","90","","1306.48","0.08","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C20 H48 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0345","0.029","","","0.0771","0.0794","","","","","","1.083","","","","has coordinates","248546","2020-10-21","18:00:00",""
"4134338","5.8793","0.0003","19.4968","0.0009","15.2856","0.0007","90","","90","","90","","1752.15","0.14","290","","290","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ir8 K16.28 O30 -","- Ir8 K16.28 O30 -","- Ir16 K32.56 O60 -","2","0.125","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0296","0.0235","","","0.0554","0.0569","","","","","","1.184","","","","has coordinates","248864","2020-10-21","18:00:00",""
"4134988","8.7026","0.0008","19.539","0.002","8.1692","0.0008","90","","90","","90","","1389.1","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0545","0.038","","","0.1035","0.1111","","","","","","0.95","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134991","8.7688","0.0004","19.8584","0.0009","8.1528","0.0003","90","","90","","90","","1419.68","0.11","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H13 F I3 N Pb -","- C6 H13 F I3 N Pb -","- C24 H52 F4 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0458","0.0361","","","0.0995","0.1046","","","","","","1.056","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4135548","33.2301","0.0016","16.6318","0.0008","25.9567","0.0012","90","","90","","90","","14345.7","1.2","110","2","110","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C72 H36 Eu6 N0 O36 -","- C72 H38 Eu6 O36 -","- C288 H152 Eu24 O144 -","4","0.25","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1143","0.0769","","","0.1999","0.2313","","","","","","0.994","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4301417","15.9827","0.0016","19.038","0.002","13.9367","0.0015","90","","90","","90","","4240.6","0.8","566","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","tris(μ-2-di-t-butylphosphido)-4-bromophenylacetylide-dicarbonyl triplatinum(i,i,ii)","","- C34 H58 Br O2 P3 Pt3 -","- C34 H58 Br O2 P3 Pt3 -","- C136 H232 Br4 O8 P12 Pt12 -","4","0.25","","Claudia Cavazza; Fabrizia Fabrizi de Biani; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Piero Zanello","Synthesis and Electrochemical Characterization of Halide, Isocyanide, and Alkynyl Synthons Containing the Encumbered Triangular Cluster Unit Pt3(μ-PtBu2)3","Inorganic Chemistry","2009","48","","1385","1397","10.1021/ic801268v","","","0.71073","MoKα","","0.068","0.0398","","","0.0797","0.0898","","","","","","1.018","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301422","3.7551","0.0003","12.519","0.0008","34.177","0.002","90","","90","","90","","1606.66","0.19","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr1.98 Er6.02 S11 -","- Cr1.982 Er6.018 S11 -","- Cr7.928 Er24.072 S44 -","4","0.25","","Paz Vaqueiro; Iwona Szkoda; Rodolfo D. Sanchez; Anthony V. Powell","Ternary Erbium Chromium Sulfides: Structural Relationships and Magnetic Properties","Inorganic Chemistry","2009","48","","1284","1292","10.1021/ic801482a","","","0.71073","MoKα","","0.0342","0.0229","","0.0256","0.0235","0.0235","","","","","","1.0318","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301764","8.021","0.002","21.893","0.006","19.809","0.006","90","","90","","90","","3478.5","1.7","60","2","60","2","","","","","","","","6","C m c m","-C 2c 2","63","[NEt4]2[Cu(emi)]","","","- C18 H38 Cu0.5 N3 O4 S2 -","- C19.28 H39.28 Cu0.5 N3 O4 S2 -","- C77.12 H157.12 Cu2 N12 O16 S8 -","4","0.25","","Kayla N. Green; Scott M. Brothers; Boram Lee; Marcetta Y. Darensbourg; David A. Rockcliffe","Chemical Issues Addressing the Construction of the Distal Ni[Cysteine-Glycine-Cysteine]2-Site of Acetyl CoA Synthase: Why Not Copper?","Inorganic Chemistry","2009","48","","2780","2792","10.1021/ic801628r","","","0.71073","MoKα","","0.1463","0.0906","","","0.2154","0.2681","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301921","10.629","0.001","16.128","0.001","14.593","0.001","90","","90","","90","","2501.6","0.3","295","","295","","","","","","","","","4","C m c m","-C 2c 2","63","","decamethylferrocenium tetracyanoethenide","","- C26 H30 Fe N4 -","- C26 H30 Fe N4 -","- C104 H120 Fe4 N16 -","4","0.25","","Jae-Hyuk Her; Peter W. Stephens; Jordi Ribas-Ariño; Juan J. Novoa; William W. Shum; Joel S. Miller","Structure and Magnetic Interactions in the Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp*2].+[TCNE].-","Inorganic Chemistry","2009","48","","3296","3307","10.1021/ic801679m","powder diffraction","","0.701617","synchrotron","","","","","","","","","","1.614","","","","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302030","14.57","0.005","6.831","0.002","7.269","0.002","90","","90","","90","","723.5","0.4","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C4 H7 In O5 -","- C4 H7 In O5 -","- C16 H28 In4 O20 -","4","0.25","","Zachary L. Mensinger; Lev N. Zakharov; Darren W. Johnson","Synthesis and Crystallization of Infinite Indium and Gallium Acetate 1D Chain Structures and Concomitant Ethyl Acetate Hydrolysis","Inorganic Chemistry","2009","48","","3505","3507","10.1021/ic9000945","","","0.71073","MoKα","","0.0186","0.0167","","","0.0475","0.0496","","","","","","1.131","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4303283","9.8187","0.0007","10.3706","0.0007","21.8015","0.0015","90","","90","","90","","2220","0.3","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H34 B18 N Ni -","- C8 H34 B18 N Ni -","- C32 H136 B72 N4 Ni4 -","4","0.25","","Robert D. Kennedy; Carolyn B. Knobler; M. Frederick Hawthorne","Toward Unidirectional Rotary Motion in Nickelacarboranes: Characterization of Diastereomeric Nickel Bis(Dicarbollide) Complexes Derived from the [Nido-7-CH3-7,8-C2B9H11]- Anion","Inorganic Chemistry","2009","48","","9377","9384","10.1021/ic901175e","","","0.71073","MoKα","","0.0371","0.0311","","","0.0925","0.0956","","","","","","1.01","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303371","12.909","0.003","9.115","0.003","46.893","0.006","90","","90","","90","","5518","2","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pd21.2 Zn78.8 -","- Pd0.569722 Zn2.06806 -","- Pd82.04 Zn297.8 -","144","9","","Olivier Gourdon; Zunbeltz Izaola; Luis Elcoro; Vaclav Petricek; Gordon J. Miller","Structure Determination of Two Modulated γ-Brass Structures in the Zn-Pd System through a (3 + 1)-Dimensional Space Description","Inorganic Chemistry","2009","48","","9715","9722","10.1021/ic900830y","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4303821","4.0769","0.0004","15.1444","0.0015","10.4415","0.001","90","","90","","90","","644.68","0.11","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","cesium silver neptunium trisulfide","cesium neptunium silver trisulfide","","- Ag Cs Np S3 -","- Ag Cs Np S3 -","- Ag4 Cs4 Np4 S12 -","4","0.25","","Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Quaternary Neptunium Compounds: Syntheses and Characterization of KCuNpS3, RbCuNpS3, CsCuNpS3, KAgNpS3, and CsAgNpS3","Inorganic Chemistry","2009","48","","11513","11517","10.1021/ic901229d","","","0.71073","MoKα","","0.0418","0.0318","","","0.0596","0.0621","","","","","","1.225","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303822","3.9616","0.0008","13.862","0.003","10.234","0.002","90","","90","","90","","562","0.2","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","Potassium copper neptunium trisulfide","Copper neptunium potassium trisulfide","","- Cu K Np S3 -","- Cu K Np S3 -","- Cu4 K4 Np4 S12 -","4","0.25","","Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Quaternary Neptunium Compounds: Syntheses and Characterization of KCuNpS3, RbCuNpS3, CsCuNpS3, KAgNpS3, and CsAgNpS3","Inorganic Chemistry","2009","48","","11513","11517","10.1021/ic901229d","","","0.71073","MoKα","","0.0189","0.0157","","","0.0356","0.0368","","","","","","1.02","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303823","3.9621","0.0002","14.3719","0.0009","10.223","0.0006","90","","90","","90","","582.13","0.06","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","Rubidium Copper Neptunium trisulfide","copper neptunium rubidium trisulfide'","","- Cu Np Rb S3 -","- Cu Np Rb S3 -","- Cu4 Np4 Rb4 S12 -","4","0.25","","Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Quaternary Neptunium Compounds: Syntheses and Characterization of KCuNpS3, RbCuNpS3, CsCuNpS3, KAgNpS3, and CsAgNpS3","Inorganic Chemistry","2009","48","","11513","11517","10.1021/ic901229d","","","0.71073","MoKα","","0.0147","0.0131","","","0.0291","0.0297","","","","","","1.271","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303824","3.9644","0.0008","15.162","0.003","10.203","0.002","90","","90","","90","","613.3","0.2","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","Cesium copper neptunium trisulfide","Cesium copper neptunium trisulfide","","- Cs Cu Np S3 -","- Cs Cu Np S3 -","- Cs4 Cu4 Np4 S12 -","4","0.25","","Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Quaternary Neptunium Compounds: Syntheses and Characterization of KCuNpS3, RbCuNpS3, CsCuNpS3, KAgNpS3, and CsAgNpS3","Inorganic Chemistry","2009","48","","11513","11517","10.1021/ic901229d","","","0.71073","MoKα","","0.085","0.0413","","","0.0912","0.107","","","","","","0.965","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303825","4.0575","0.0017","13.989","0.006","10.422","0.004","90","","90","","90","","591.6","0.4","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","potassium silver neptunium trisulfide","neptunium potassium silver trisulfide","","- Ag K Np S3 -","- Ag K Np S3 -","- Ag4 K4 Np4 S12 -","4","0.25","","Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Quaternary Neptunium Compounds: Syntheses and Characterization of KCuNpS3, RbCuNpS3, CsCuNpS3, KAgNpS3, and CsAgNpS3","Inorganic Chemistry","2009","48","","11513","11517","10.1021/ic901229d","","","0.71073","MoKα","","0.0447","0.0292","","","0.0504","0.0537","","","","","","1.032","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303828","10.1895","0.0003","17.6044","0.0014","42.17","0.003","90","","90","","90","","7564.5","0.8","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La43 Mg5 Ni17 -","- La43 Mg5 Ni17 -","- La172 Mg20 Ni68 -","4","0.25","","Pavlo Solokha; Serena De Negri; Volodymyr Pavlyuk; Adriana Saccone","Anti-Mackay Polyicosahedral Clusters in La-Ni-Mg Ternary Compounds: Synthesis and Crystal Structure of the La43Ni17Mg5 New Intermetallic Phase","Inorganic Chemistry","2009","48","","11586","11593","10.1021/ic901422v","","","0.71073","MoKα","","0.084","0.0598","","","0.0897","0.0962","","","","","","1.179","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4304170","4.483","0.007","16.75","0.03","11.745","0.018","90","","90","","90","","882","2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","Dy","","","- Cd Cl0 Cs Dy Te3 -","- Cd Cs Dy Te3 -","- Cd4 Cs4 Dy4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.067","0.0556","","","0.1247","0.1329","","","","","","1.087","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304171","4.4627","0.0014","16.812","0.006","11.706","0.004","90","","90","","90","","878.3","0.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Er","","","- Cd Cs Er Te3 -","- Cd Cs Er Te3 -","- Cd4 Cs4 Er4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0305","0.0247","","","0.0585","0.0961","","","","","","1.003","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304172","4.5122","0.0017","16.783","0.007","11.818","0.005","90","","90","","90","","895","0.6","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Gd","","","- Cd Cs Gd Te3 -","- Cd Cs Gd Te3 -","- Cd4 Cs4 Gd4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0397","0.0319","","","0.0783","0.1142","","","","","","1.006","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304173","4.4727","0.0015","16.802","0.006","11.727","0.004","90","","90","","90","","881.3","0.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Ho","","","- Cd Cs Ho Te3 -","- Cd Cs Ho Te3 -","- Cd4 Cs4 Ho4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.04","0.0329","","","0.083","0.1165","","","","","","1.055","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304174","4.6392","0.0017","16.702","0.007","12.168","0.005","90","","90","","90","","942.8","0.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","La","","","- Cd Cs La Te3 -","- Cd Cs La Te3 -","- Cd4 Cs4 La4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0307","0.0247","","","0.0656","0.0999","","","","","","1.099","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304175","4.444","0.004","16.841","0.017","11.672","0.011","90","","90","","90","","873.5","1.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Lu","","","- Cd Cs Lu Te3 -","- Cd Cs Lu Te3 -","- Cd4 Cs4 Lu4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0571","0.0487","","","0.1462","0.172","","","","","","1.07","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304176","4.573","0.0004","16.7501","0.0015","11.9675","0.001","90","","90","","90","","916.69","0.14","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Nd","","","- Cd Cs Nd Te3 -","- Cd Cs Nd Te3 -","- Cd4 Cs4 Nd4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0286","0.0256","","","0.0534","0.0545","","","","","","1.094","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304177","4.594","0.003","16.77","0.012","12.023","0.009","90","","90","","90","","926.3","1.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Pr","","","- Cd Cs Pr Te3 -","- Cd Cs Pr Te3 -","- Cd4 Cs4 Pr4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0411","0.0327","","","0.0907","0.1244","","","","","","1.074","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304178","4.5472","0.0006","16.804","0.002","11.8947","0.0018","90","","90","","90","","908.9","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Sm","","","- Cd Cs Sm Te3 -","- Cd Cs Sm Te3 -","- Cd4 Cs4 Sm4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.031","0.0256","","","0.0509","0.0528","","","","","","1.049","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304179","4.4956","0.0004","16.779","0.0016","11.7804","0.0011","90","","90","","90","","888.62","0.14","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Tb","","","- Cd Cs Tb Te3 -","- Cd Cs Tb Te3 -","- Cd4 Cs4 Tb4 Te12 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0329","0.0284","","","0.0701","0.0724","","","","","","1.037","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304180","4.457","0.002","16.824","0.008","11.696","0.006","90","","90","","90","","877","0.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Tm","","","- Cd Cs Te3 Tm -","- Cd Cs Te3 Tm -","- Cd4 Cs4 Te12 Tm4 -","4","0.25","","Yi Liu; Ling Chen; Li-Ming Wu; George H. Chan; Richard P. Van Duyne","Syntheses, Crystal and Band Structures, and Magnetic and Optical Properties of New CsLnCdTe3 (Ln = La, Pr, Nd, Sm, Gd-Tm, and Lu)","Inorganic Chemistry","2008","47","","855","862","10.1021/ic7016402","","","0.71073","MoKα","","0.0229","0.0207","","","0.0491","0.0501","","","","","","1.069","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304259","10.6847","0.0002","7.3694","0.0001","7.4136","0.0001","90","","90","","90","","583.746","0.016","773","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd12 O28 Ru4 -","4","0.25","","Nobuo Ishizawa; Kenji Tateishi; Saki Kondo; Tsuyoshi Suwa","Structural Phase Transition of Gd3RuO7","Inorganic Chemistry","2008","47","","558","566","10.1021/ic701732d","","","0.71073","MoKα","","","0.028","","","","0.029","","","","","","2.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304261","10.6514","0.0002","7.3404","0.0003","7.3942","0.0001","90","","90","","90","","578.12","0.03","423","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd12 O28 Ru4 -","4","0.25","","Nobuo Ishizawa; Kenji Tateishi; Saki Kondo; Tsuyoshi Suwa","Structural Phase Transition of Gd3RuO7","Inorganic Chemistry","2008","47","","558","566","10.1021/ic701732d","","","0.71073","MoKα","","","0.024","","","","0.017","","","","","","1.781","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304262","10.7346","0.0002","7.4112","0.0002","7.4481","0.0002","90","","90","","90","","592.54","0.03","1223","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd12 O28 Ru4 -","4","0.25","","Nobuo Ishizawa; Kenji Tateishi; Saki Kondo; Tsuyoshi Suwa","Structural Phase Transition of Gd3RuO7","Inorganic Chemistry","2008","47","","558","566","10.1021/ic701732d","","","0.71073","MoKα","","","0.032","","","","0.025","","","","","","1.803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304544","6.545","0.003","10.508","0.004","10.627","0.004","90","","90","","90","","730.9","0.5","180","2","180","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl3 H6 N3 O2 Pt -","- Cl3 H6 N3 O2 Pt -","- Cl12 H24 N12 O8 Pt4 -","4","0.25","","Shalyn L. Littlefield; Michael C. Baird; Aikaterini Anagnostopoulou; Leda Raptis","Synthesis, Characterization and Stat3 Inhibitory Properties of the Prototypical Platinum(IV) Anticancer Drug, [PtCl3(NO2)(NH3)2] (CPA-7)","Inorganic Chemistry","2008","47","","2798","2804","10.1021/ic702057q","","","0.71073","MoKα","","0.0323","0.0218","","","0.0509","0.0604","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4304942","7.49","0.004","21.803","0.011","8.154","0.004","90","","90","","90","","1331.6","1.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H9 F2.2 In2 O7.4 -","- C8 H4 F2.2 In2 O7.4 -","- C32 H16 F8.8 In8 O29.6 -","4","0.25","","Marie Vougo-Zanda; Ekaterina V. Anokhina; Selma Duhovic; Lumei Liu; Xiqu Wang; Oluwakemi A. Oloba; Thomas A. Albright; Allan J. Jacobson","Octahedral Tilting in MM'X4 Metal-Oxide Organic Layer Structures","Inorganic Chemistry","2008","47","","4746","4751","10.1021/ic8000448","","","0.71073","MoKα","","0.1009","0.0626","","","0.1046","0.1157","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305307","21.49","0.04","9.091","0.015","22.55","0.04","90","","90","","90","","4405","13","296.1","","","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C36 H42 N Ni O6 S10 -","- C36 H24 N Ni O6 S10 -","- C144 H96 N4 Ni4 O24 S40 -","4","0.25","","Tomoyuki Akutagawa; Daisuke Sato; Hiroyuki Koshinaka; Masaaki Aonuma; Shin-ichiro Noro; Sadamu Takeda; Takayoshi Nakamura","Solid-State Molecular Rotators of Anilinium and Adamantylammonium in [Ni(dmit)2]- Salts with Diverse Magnetic Properties","Inorganic Chemistry","2008","47","","5951","5962","10.1021/ic800271m","","","0.71075","MoKα","","","0.0376","","","","0.0742","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305435","3.9885","0.0004","14.3991","0.0016","10.2961","0.0012","90","","90","","90","","591.31","0.11","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Rb S3 U -","- Cu Rb S3 U -","- Cu4 Rb4 S12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.0276","0.025","","","0.0618","0.0635","","","","","","1.494","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305436","4.0982","0.001","15.168","0.004","10.505","0.003","90","","90","","90","","653","0.3","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Cs S3 U -","- Ag Cs S3 U -","- Ag4 Cs4 S12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.0238","0.0195","","","0.0462","0.0477","","","","","","1.082","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305437","4.219","0.0004","15.661","0.0016","10.844","0.0011","90","","90","","90","","716.5","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Cs Se3 U -","- Ag Cs Se3 U -","- Ag4 Cs4 Se12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.0267","0.0241","","","0.0546","0.0559","","","","","","1.302","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305438","3.9997","0.0007","15.172","0.003","10.3257","0.0018","90","","90","","90","","626.6","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu S3 U -","- Cs Cu S3 U -","- Cs4 Cu4 S12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.021","0.0196","","","0.0443","0.0447","","","","","","1.429","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305439","3.9711","0.0006","13.894","0.002","10.2903","0.0015","90","","90","","90","","567.76","0.14","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu K S3 U -","- Cu K S3 U -","- Cu4 K4 S12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.0244","0.0198","","","0.0552","0.056","","","","","","1.642","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305440","4.0819","0.0007","14.473","0.002","10.4646","0.0017","90","","90","","90","","618.22","0.17","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Rb S3 U -","- Ag Rb S3 U -","- Ag4 Rb4 S12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.0462","0.0408","","","0.1169","0.1215","","","","","","1.45","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305441","4.206","0.0005","14.9188","0.0017","10.814","0.0012","90","","90","","90","","678.56","0.13","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Rb Se3 U -","- Ag Rb Se3 U -","- Ag4 Rb4 Se12 U4 -","4","0.25","","Jiyong Yao; Daniel M. Wells; George H. Chan; Hui-Yi Zeng; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structures, Physical Properties, and Electronic Properties of Some AMUQ3 Compounds (A = Alkali Metal, M = Cu or Ag, Q = S or Se)","Inorganic Chemistry","2008","47","","6873","6879","10.1021/ic800424t","","","0.71073","MoKα","","0.0304","0.026","","","0.0632","0.0662","","","","","","1.242","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4306785","21.7739","0.0006","37.6772","0.001","7.233","0.0001","90","","90","","90","","5933.8","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","MIL-68_In","","","- C25.5 H12 In3 N0.5 O15.5 -","- C25.5 H12 In3 N0.5 O15.5 -","- C102 H48 In12 N2 O62 -","4","0.25","","Christophe Volkringer; Mohamed Meddouri; Thierry Loiseau; Nathalie Guillou; Jérôme Marrot; Gérard Férey; Mohamed Haouas; Francis Taulelle; Nathalie Audebrand; Michel Latroche","The Kagomé Topology of the Gallium and Indium Metal-Organic Framework Types with a MIL-68 Structure: Synthesis, XRD, Solid-State NMR Characterizations, and Hydrogen Adsorption","Inorganic Chemistry","2008","47","","11892","11901","10.1021/ic801624v","","","0.71073","MoKα","","0.0762","0.0527","","","0.19","0.2029","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306786","21.176","0.004","36.703","0.008","6.7423","0.0004","90","","90","","90","","5240.3","1.5","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","?","- C96 H48 Ga12 O60 -","- C96 H48 Ga12 O60 -","","","","Christophe Volkringer; Mohamed Meddouri; Thierry Loiseau; Nathalie Guillou; Jérôme Marrot; Gérard Férey; Mohamed Haouas; Francis Taulelle; Nathalie Audebrand; Michel Latroche","The Kagomé Topology of the Gallium and Indium Metal-Organic Framework Types with a MIL-68 Structure: Synthesis, XRD, Solid-State NMR Characterizations, and Hydrogen Adsorption","Inorganic Chemistry","2008","47","","11892","11901","10.1021/ic801624v","","","","","","","","","","","","","","","","","","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4307420","15.961","0.004","13.884","0.004","27.976","0.006","90","","90","","90","","6200","3","120","2","120","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H65 Cl4 Cu7 N36 O24 -","- C32 H37 Cl4 Cu7 N36 O24 -","- C128 H148 Cl16 Cu28 N144 O96 -","4","0.25","","Sacramento Ferrer; Elena Aznar; Francesc Lloret; Alfonso Castiñeiras; Malva Liu-González; Joaquín Borrás","One-Dimensional Metal-Organic Framework with Unprecedented Heptanuclear Copper Units","Inorganic Chemistry","2007","46","","372","374","10.1021/ic0619106","","","1.54184","CuKα","","0.0556","0.055","","","0.1709","0.1714","","","","","","1.022","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4307697","9.5896","0.0017","16.146","0.003","8.1459","0.0015","90","","90","","90","","1261.3","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","lead lanthanum oxide bromide","","","- Br0.4 La0.4 O2.8 Pb2.4 -","- Br La O7 Pb6 -","- Br4 La4 O28 Pb24 -","4","0.25","","Oleg I. Siidra; Sergey V. Krivovichev; Thomas Armbruster; Wulf Depmeier","Lead Rare-Earth Oxyhalides: Syntheses and Characterization of Pb6LaO7X (X = Cl, Br)","Inorganic Chemistry","2007","46","","1523","1525","10.1021/ic062191y","","","0.71073","MoKα","","0.067","0.0403","","","0.0713","0.0769","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308095","4.1246","0.0006","15.608","0.002","6.4556","0.0009","90","","90","","90","","415.59","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co Ga4 Sm -","- Co Ga4 Sm -","- Co4 Ga16 Sm4 -","4","0.25","","YongZhong Jia; Claude Belin; Monique Tillard; Laurence Lacroix-Orio; David Zitoun; GuoHua Feng","Three Novel Phases in the Sm-Co-Ga System. Syntheses, Crystal and Electronic Structures, and Electrical and Magnetic Properties","Inorganic Chemistry","2007","46","","4177","4186","10.1021/ic0700755","","","0.71073","MoKα","","0.0352","0.0269","","","0.0562","0.058","","","","","","1.203","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308342","15.1477","0.0009","11.9972","0.0007","17.1143","0.0011","90","","90","","90","","3110.2","0.3","93","2","93","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C26 H26 Cl2 N5 O8 S2 Zn -","- C26 H26 Cl2 N5 O8 S2 Zn -","- C104 H104 Cl8 N20 O32 S8 Zn4 -","4","0.25","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.0249","0.0226","","","0.0618","0.0627","","","","","","1.039","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308516","8.2101","0.0006","25.1002","0.0012","8.8348","0.0007","90","","90","","90","","1820.6","0.2","183","2","183","2","","","","","","","","6","C m c m","-C 2c 2","63","","tetraethylammonium tribromo tricarbonyl rhenate","","- C10 H20 Br3 N2 O3 Re -","- C10 Br3 N2 O3 Re -","- C40 Br12 N8 O12 Re4 -","4","0.25","","Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes","Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses","Inorganic Chemistry","2005","44","","683","690","10.1021/ic049599k","","","0.71073","MoKα","","0.0729","0.0682","","","0.1927","0.1971","","","","","","1.114","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308550","12.8779","0.0009","11.0818","0.0011","26.5236","0.0015","90","","90","","90","","3785.2","0.5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H21 I8 N7 U2 -","- C14 H21 I8 N7 U2 -","- C56 H84 I32 N28 U8 -","4","0.25","","Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4","Inorganic Chemistry","2005","44","","1142","1146","10.1021/ic048603p","","","0.71073","MoKα","","0.0756","0.0499","","","0.1078","0.1189","","","","","","1.044","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308712","4.0981","0.0006","11.159","0.001","12.6825","0.0008","90","","90","","90","","579.98","0.11","296.1","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge5.6 Sr -","- Ge5.58 Sr -","- Ge22.32 Sr4 -","4","0.25","","Hiroshi Fukuoka; Shoji Yamanaka; Eiichi Matsuoka; Toshiro Takabatake","High-Pressure Synthesis and Transport Properties of a New Binary Germanide, SrGe6-δ (δ ~ 0.5), with a Cagelike Structure","Inorganic Chemistry","2005","44","","1460","1465","10.1021/ic0485615","","","0.7107","MoKα","","","0.019","","","","0.01","","","","","","1.616","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308808","15.132","0.0004","17.842","0.0004","21.199","0.0008","90","0.002","90","0.001","90","0.001","5723.4","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C48 H106 B11 P2 Rh -","- C46 H96 B12 P2 Rh -","- C184 H384 B48 P8 Rh4 -","4","0.25","","Michael J. Ingleson; Simon K. Brayshaw; Mary F. Mahon; Giuseppe D. Ruggiero; Andrew S. Weller","Dihydrogen Complexes of Rhodium: [RhH2(H2)x(PR3)2]+ (R = Cy,iPr; x= 1, 2)","Inorganic Chemistry","2005","44","","3162","3171","10.1021/ic0482739","","","0.71073","MoKα","","0.2208","0.1511","","","0.4626","0.492","","","","","","1.807","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308882","17.7866","0.0016","6.7022","0.0006","15.654","0.0014","90","","90","","90","","1866.1","0.3","163","2","163","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C18 H26 Cl2 U -","- C18 H26 Cl2 U -","- C72 H104 Cl8 U4 -","4","0.25","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Anatolii A. Fagin; Mikhail N. Bochkarev","Facile Syntheses of Unsolvated UI3 and Tetramethylcyclopentadienyl Uranium Halides","Inorganic Chemistry","2005","44","","3993","4000","10.1021/ic0482685","","","0.71073","MoKα","","0.0126","0.0121","","","0.029","0.0292","","","","","","1.136","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4309009","4.1118","0.0014","15.844","0.005","3.9885","0.0013","90","","90","","90","","259.84","0.15","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Fe Ge8 Tb4 -","- Fe Ge8 Tb4 -","- Fe Ge8 Tb4 -","1","0.0625","","Marina A. Zhuravleva; Daniel Bilc; Robert J. Pcionek; S. D. Mahanti; Mercouri G. Kanatzidis","Tb4FeGe8 Grown in Liquid Gallium: Trans-Cis Chains from the Distortion of a Planar Ge Square Net","Inorganic Chemistry","2005","44","","2177","2188","10.1021/ic0487878","","","0.71073","MoKα","","0.0371","0.0363","","","0.0893","0.0898","","","","","","1.115","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309295","4.8273","0.001","28.9486","0.001","15.0062","0.001","90","","90","","90","","2097","0.5","293","","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li6Eu5Sn9","","","- Eu5 Li6 Sn9 -","- Eu5 Li6 Sn9 -","- Eu20 Li24 Sn36 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.044","0.0297","","","0.0621","0.067","","","","","","1.144","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309296","4.6665","0.001","17.0592","0.001","31.619","0.001","90","","90","","90","","2517.1","0.6","293","","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li5Ca7Sn11","","","- Ca7 Li5 Sn11 -","- Ca7 Li5 Sn11 -","- Ca28 Li20 Sn44 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0657","0.0365","","","0.08","0.0909","","","","","","1.018","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309297","4.6401","0.001","27.1116","0.001","11.4906","0.001","90","","90","","90","","1445.5","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li8.84CaSn6.16","","","- Ca Li8.84 Sn6.16 -","- Ca Li8.84 Sn6.16 -","- Ca4 Li35.36 Sn24.64 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0384","0.0328","","","0.0823","0.0868","","","","","","1.084","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309298","4.723","0.001","27.125","0.001","11.4358","0.001","90","","90","","90","","1465.1","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li8.71EuSn6.29","","","- Eu Li8.71 Sn6.29 -","- Eu Li8.708 Sn6.292 -","- Eu4 Li34.832 Sn25.168 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0507","0.0447","","","0.1079","0.1109","","","","","","1.151","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309299","4.7822","0.001","20.7174","0.001","7.7428","0.001","90","","90","","90","","767.12","0.19","293","","293","2","","","","","","","","4","C m c m","-C 2c 2","63","LiMgEu2Sn3","","","- Eu Li0.5 Mg0.5 Sn1.5 -","- Eu Li0.45 Mg0.55 Sn1.5 -","- Eu8 Li3.6 Mg4.4 Sn12 -","8","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0279","0.0266","","","0.0726","0.0733","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309300","4.8433","0.001","20.9227","0.001","7.8045","0.001","90","","90","","90","","790.9","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","LiMgSr2Sn3","","","- Li Mg Sn3 Sr2 -","- Li0.74 Mg1.26 Sn3 Sr2 -","- Li2.96 Mg5.04 Sn12 Sr8 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0859","0.0822","","","0.1918","0.1975","","","","","","1.201","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309515","4.0763","0.0013","13.864","0.004","10.541","0.003","90","","90","","90","","595.7","0.3","571","2","571","2","","","","","","","","4","C m c m","-C 2c 2","63","pdcd258","potassium Copper thorium trisulfide","","- Cu K S3 Th -","- Cu K S3 Th -","- Cu4 K4 S12 Th4 -","4","0.25","","Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout","Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~","Inorganic Chemistry","2005","44","","6463","6469","10.1021/ic050561x","","","0.71073","MoKα","","0.0374","0.0236","","","0.0455","0.0495","","","","","","1.112","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309643","10.7492","0.0003","7.3125","0.0002","7.4387","0.0002","90","","90","","90","","584.71","0.03","220","2","220","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O28 Ru4 Sm12 -","4","0.25","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.02","0.0191","","","0.0482","0.0487","","","","","","1.124","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309645","10.6926","0.0005","7.3087","0.0003","7.4107","0.0003","90","","90","","90","","579.14","0.04","294","2","294","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu12 O28 Ru4 -","4","0.25","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.03","0.0264","","","0.0546","0.0559","","","","","","1.176","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4310070","5.9691","0.0009","24.987","0.004","5.9579","0.0009","90","","90","","90","","888.6","0.2","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","La2Zn3Ge6","","","- Ge6 La2 Zn3 -","- Ge6 La2 Zn3 -","- Ge24 La8 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.027","0.0257","","","0.0741","0.0748","","","","","","1.183","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310071","5.9503","0.0005","24.761","0.002","5.9477","0.0005","90","","90","","90","","876.31","0.13","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Ce2Zn3Ge6","","","- Ce2 Ge6 Zn3 -","- Ce2 Ge6 Zn3 -","- Ce8 Ge24 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.0261","0.0254","","","0.0719","0.0723","","","","","","1.343","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310072","5.9094","0.0007","24.619","0.003","5.9063","0.0007","90","","90","","90","","859.27","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge6 Nd2 Zn3 -","- Ge6 Nd2 Zn3 -","- Ge24 Nd8 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.0492","0.0481","","","0.1277","0.1287","","","","","","1.171","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310073","5.938","0.002","24.708","0.008","5.936","0.002","90","","90","","90","","870.9","0.5","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Pr2Zn3Ge6","","","- Ge6 Pr2 Zn3 -","- Ge6 Pr2 Zn3 -","- Ge24 Pr8 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.0281","0.0266","","","0.0697","0.0703","","","","","","1.307","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310117","3.9619","0.0002","12.8541","0.0007","6.1175","0.0004","90","","90","","90","","311.54","0.03","240","2","240","2","","","","","","","synthesis as described","4","C m c m","-C 2c 2","63","Barium Zinc Oxysulfide","","","- Ba O S Zn -","- Ba O S Zn -","- Ba4 O4 S4 Zn4 -","4","0.25","","Sarah Broadley; Zoltán A. Gál; Furio Corà; Catherine F. Smura; Simon J. Clarke","Vertex-Linked ZnO2S2 Tetrahedra in the Oxysulfide BaZnOS: a New Coordination Environment for Zinc in a Condensed Solid","Inorganic Chemistry","2005","44","","9092","9096","10.1021/ic051240o","","x-ray","0.71073","MoKα","","0.0244","0.0188","","","0.0364","0.0374","","","","","","1.067","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4311252","10.7492","0.0003","7.3125","0.0002","7.4387","0.0002","90","","90","","90","","584.71","0.03","220","2","220","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O28 Ru4 Sm12 -","4","0.25","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.02","0.0191","","","0.0482","0.0487","","","","","","1.124","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311254","10.6926","0.0005","7.3087","0.0003","7.4107","0.0003","90","","90","","90","","579.14","0.04","294","2","294","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu12 O28 Ru4 -","4","0.25","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.03","0.0264","","","0.0546","0.0559","","","","","","1.176","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4312027","9.0878","0.001","11.4667","0.0013","7.5549","0.0009","90","","90","","90","","787.27","0.16","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C2 H8 B2 F6 Li N O -","- C2 H8 B2 F6 Li N O -","- C8 H32 B8 F24 Li4 N4 O4 -","4","0.25","","Thomas J. Barbarich; Peter F. Driscoll; Suzette Izquierdo; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","New Family of Lithium Salts for Highly Conductive Nonaqueous Electrolytes","Inorganic Chemistry","2004","43","","7764","7773","10.1021/ic040070x","","","0.71073","MoKα","","0.0295","0.0252","","","0.0667","0.0697","","","","","","1.058","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312028","4.5364","0.0004","16.6203","0.0015","12.0854","0.0011","90","","90","","90","","911.19","0.14","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs La Te3 Zn -","- Cs La Te3 Zn -","- Cs4 La4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0278","0.0242","","","0.0574","0.059","","","","","","1.368","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312029","4.4896","0.0005","16.647","0.002","11.9294","0.0015","90","","90","","90","","891.58","0.18","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Pr Te3 Zn -","- Cs Pr Te3 Zn -","- Cs4 Pr4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0359","0.0354","","","0.0871","0.0873","","","","","","1.436","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312030","4.4702","0.0005","16.6648","0.0017","11.8656","0.0012","90","","90","","90","","883.93","0.16","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Nd Te3 Zn -","- Cs Nd Te3 Zn -","- Cs4 Nd4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0297","0.0287","","","0.0728","0.0737","","","","","","1.218","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312031","4.4368","0.0005","16.684","0.0017","11.7724","0.0012","90","","90","","90","","871.44","0.16","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Sm Te3 Zn -","- Cs Sm Te3 Zn -","- Cs4 Sm4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0306","0.0282","","","0.0678","0.0696","","","","","","1.376","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312032","4.4161","0.0004","16.7148","0.0015","11.6989","0.0011","90","","90","","90","","863.55","0.14","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Te3 Zn -","- Cs Gd Te3 Zn -","- Cs4 Gd4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0197","0.0192","","","0.055","0.0553","","","","","","1.361","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312033","4.3838","0.0004","16.709","0.0014","11.6194","0.001","90","","90","","90","","851.11","0.13","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Dy Te3 Zn -","- Cs Dy Te3 Zn -","- Cs4 Dy4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0245","0.0237","","","0.0581","0.0583","","","","","","1.453","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312034","4.3992","0.0004","16.7044","0.0014","11.6634","0.0009","90","","90","","90","","857.1","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Tb Te3 Zn -","- Cs Tb Te3 Zn -","- Cs4 Tb4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.024","0.0229","","","0.0563","0.0567","","","","","","1.399","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312035","4.3761","0.0014","16.721","0.005","11.582","0.004","90","","90","","90","","847.5","0.5","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Ho Te3 Zn -","- Cs Ho Te3 Zn -","- Cs4 Ho4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0276","0.0268","","","0.0679","0.0682","","","","","","1.162","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312036","4.3604","0.0008","16.706","0.003","11.534","0.002","90","","90","","90","","840.2","0.3","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Er Te3 Zn -","- Cs Er Te3 Zn -","- Cs4 Er4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0334","0.0319","","","0.0812","0.0822","","","","","","1.353","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312037","4.3471","0.0007","16.712","0.003","11.5157","0.0019","90","","90","","90","","836.6","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Te3 Tm Zn -","- Cs Te3 Tm Zn -","- Cs4 Te12 Tm4 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0321","0.0309","","","0.0772","0.0779","","","","","","1.286","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312038","4.3864","0.0003","16.7115","0.0012","11.6102","0.0008","90","","90","","90","","851.07","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Te3 Y Zn -","- Cs Te3 Y Zn -","- Cs4 Te12 Y4 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0171","0.0169","","","0.0387","0.0388","","","","","","1.256","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312378","4.2096","0.0004","14.0056","0.0014","32.451","0.003","90","","90","","90","","1913.2","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi3 K Se9 Sn4 -","- Bi2.5496 K0.546 Se9 Sn4.9046 -","- Bi10.1984 K2.184 Se36 Sn19.6184 -","4","0.25","","Antje Mrotzek; Mercouri G. Kanatzidis","Tropochemical Cell-Twinning in the New Quaternary Bismuth Selenides KxSn6-2xBi2+xSe9 and KSn5Bi5Se13","Inorganic Chemistry","2003","42","","7200","7206","10.1021/ic034252n","","","0.71073","MoKα","","0.0385","0.0358","","","0.0688","0.0698","","","","","","1.084","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4312755","4.6179","0.0009","17.372","0.004","7.0602","0.0014","90","","90","","90","","566.4","0.2","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn4 Sr -","- Sn4 Sr -","- Sn16 Sr4 -","4","0.25","","Stefan Hoffmann; Thomas F. Fässler","SrSn4: A Superconducting Stannide with Localized and Delocalized Bond Character","Inorganic Chemistry","2003","42","","8748","8754","10.1021/ic0302128","","","0.71073","MoKα","","0.0435","0.0427","","","0.1087","0.1095","","","","","","1.203","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4313141","11.527","0.002","9.9476","0.0018","14.78","0.003","90","","90","","90","","1694.8","0.5","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H10 Co2 N2 O16 V4 -","- C4 Co2 N2 O16 V4 -","- C16 Co8 N8 O64 V16 -","4","0.25","","Guanghua Li; Zhan Shi; Yaohua Xu; Shouhua Feng","An Organically Templated Cobalt-Vanadium Oxide with β Cage Units: Hydrothermal Synthesis and X-ray Structural Characterization of (C2H10N2)[Co2(C2O4)V4O12]","Inorganic Chemistry","2003","42","","1170","1174","10.1021/ic025808u","","","0.71073","MoKα","","0.0293","0.0281","","","0.0768","0.0777","","","","","","1.16","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313424","16.592","0.002","7.5106","0.0009","7.0021","0.0009","90","","90","","90","","872.57","0.19","153","2","153","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C H10 Al F N2 O6 P2 -","- C H10 Al F N2 O6 P2 -","- C4 H40 Al4 F4 N8 O24 P8 -","4","0.25","","Howard G. Harvey; Simon J. Teat; Chiu C. Tang; Lachlan M. Cranswick; Martin P. Attfield","Synthesis and Characterization of Three Novel Cation-Containing (NH4+/C3H7NH3+/NH3+C2H4NH3+) Aluminum Diphosphonates","Inorganic Chemistry","2003","42","","2428","2439","10.1021/ic020641q","","","0.71073","MoKα","","0.0655","0.0362","","","0.0774","0.0939","","","","","","0.876","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313501","14.3383","0.0008","15.6867","0.0008","8.0282","0.0004","90","","90","","90","","1805.71","0.16","293","2","193","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- F6 H13 Ni O6.5 U -","- F6 Ni O5.5 U -","- F48 Ni8 O44 U8 -","8","0.5","","Amanda C. Bean; Tyler A. Sullens; Wolfgang Runde; Thomas E. Albrecht-Schmitt","Hydrothermal Preparation of Nickel(II)/Uranium(IV) Fluorides with One-, Two-, and Three-Dimensional Topologies","Inorganic Chemistry","2003","42","","2628","2633","10.1021/ic0262076","","","0.71073","MoKα","","0.0272","0.0252","","","0.0673","0.0692","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313666","4.2277","0.0003","12.97","0.0011","12.0118","0.001","90","","90","","90","","658.65","0.09","91","2","91","2","","","","","","","","4","C m c m","-C 2c 2","63","BaCuZn3As3","","","- As3 Ba Cu0.96 Zn3.04 -","- As3 Ba Cu0.948 Zn3.052 -","- As12 Ba4 Cu3.792 Zn12.208 -","4","0.25","","Tadashi C. Ozawa; Susan M. Kauzlarich","NaCl/KCl Flux Single Crystal Growth and Crystal Structure of the New Quaternary Mixed-Metal Pnictide: BaCuZn3As3","Inorganic Chemistry","2003","42","","3183","3186","10.1021/ic034061k","","","0.71073","MoKα","","0.0284","0.0221","","","0.0477","0.0504","","","","","","1.06","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313788","4.2386","0.0005","15.819","0.002","11.0639","0.0014","90","","90","","90","","741.84","0.16","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Cs Se3 Y -","- Cd Cs Se3 Y -","- Cd4 Cs4 Se12 Y4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0229","0.0195","","","0.0456","0.0477","","","","","","1.101","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313789","4.3883","0.0005","15.7576","0.0018","11.4236","0.0013","90","","90","","90","","789.93","0.16","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Ce Cs Se3 -","- Cd Ce Cs Se3 -","- Cd4 Ce4 Cs4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0179","0.0171","","","0.0414","0.0417","","","","","","1.144","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313790","4.3556","0.0009","15.747","0.003","11.348","0.003","90","","90","","90","","778.3","0.3","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Cs Pr Se3 -","- Cd Cs Pr Se3 -","- Cd4 Cs4 Pr4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0289","0.0235","","","0.057","0.0597","","","","","","0.989","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313791","4.2995","0.0004","15.7793","0.0015","11.201","0.001","90","","90","","90","","759.91","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Cs Se3 Sm -","- Cd Cs Se3 Sm -","- Cd4 Cs4 Se12 Sm4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0207","0.0199","","","0.0532","0.0536","","","","","","1.068","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313792","4.2784","0.0004","15.8322","0.0015","11.1548","0.0011","90","","90","","90","","755.59","0.13","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Cs Gd Se3 -","- Cd Cs Gd Se3 -","- Cd4 Cs4 Gd4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.03","0.0245","","","0.0603","0.0648","","","","","","1.089","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313793","4.2612","0.0003","15.8319","0.0012","11.1096","0.0009","90","","90","","90","","749.49","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Cs Se3 Tb -","- Cd Cs Se3 Tb -","- Cd4 Cs4 Se12 Tb4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0203","0.0186","","","0.0506","0.0516","","","","","","0.983","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313794","4.2419","0.0003","15.8274","0.0012","11.0828","0.0008","90","","90","","90","","744.08","0.09","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Cs Dy Se3 -","- Cd Cs Dy Se3 -","- Cd4 Cs4 Dy4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.02","0.0191","","","0.0556","0.056","","","","","","1.135","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313795","4.2226","0.0018","15.839","0.007","10.997","0.005","90","","90","","90","","735.5","0.6","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Hg Se3 Y -","- Cs Hg Se3 Y -","- Cs4 Hg4 Se12 Y4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0262","0.0225","","","0.0541","0.0564","","","","","","1.283","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313796","4.4002","0.0004","15.7279","0.0014","11.4052","0.001","90","","90","","90","","789.31","0.12","273","2","273","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Hg La Se3 -","- Cs Hg La Se3 -","- Cs4 Hg4 La4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0204","0.0192","","","0.0469","0.0473","","","","","","1.143","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313797","4.3719","0.0005","15.7658","0.0017","11.3166","0.0012","90","","90","","90","","780.01","0.15","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ce Cs Hg Se3 -","- Ce Cs Hg Se3 -","- Ce4 Cs4 Hg4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0309","0.0243","","","0.0527","0.056","","","","","","1.134","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313798","4.3386","0.0004","15.7404","0.0015","11.2441","0.001","90","","90","","90","","767.87","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Hg Pr Se3 -","- Cs Hg Pr Se3 -","- Cs4 Hg4 Pr4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.025","0.0219","","","0.0541","0.0558","","","","","","1.025","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313799","4.3202","0.0003","15.7771","0.0011","11.1981","0.0008","90","","90","","90","","763.27","0.09","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Hg Nd Se3 -","- Cs Hg Nd Se3 -","- Cs4 Hg4 Nd4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0214","0.0207","","","0.0489","0.0492","","","","","","1.177","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313800","4.2944","0.0016","15.878","0.006","11.143","0.004","90","","90","","90","","759.8","0.5","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Hg Se3 Sm -","- Cs Hg Se3 Sm -","- Cs4 Hg4 Se12 Sm4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0253","0.0225","","","0.0529","0.0543","","","","","","1.001","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313801","4.2763","0.0014","15.877","0.005","11.114","0.004","90","","90","","90","","754.6","0.4","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Hg Se3 -","- Cs Gd Hg Se3 -","- Cs4 Gd4 Hg4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0203","0.0187","","","0.0453","0.0465","","","","","","1.111","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313802","4.309","0.002","15.922","0.008","11.176","0.006","90","","90","","90","","766.8","0.7","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Hg Se3 Sm -","- Cs Hg Se3 Sm -","- Cs4 Hg4 Se12 Sm4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0322","0.0287","","","0.0673","0.0694","","","","","","1.256","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313803","4.238","0.0017","15.73","0.006","11.011","0.005","90","","90","","90","","734","0.5","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Hg Se3 -","- Cs Gd Hg Se3 -","- Cs4 Gd4 Hg4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers","The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","4109","4116","10.1021/ic020733f","","","0.71073","MoKα","","0.0207","0.019","","","0.0475","0.0493","","","","","","0.959","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313943","4.496","0.003","11.008","0.008","8.148","0.006","90","","90","","90","","403.3","0.5","273","2","273","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Pd Sr Tl2 -","- Pd Sr Tl2 -","- Pd4 Sr4 Tl8 -","4","0.25","","Shengfeng Liu; John D. Corbett","Synthesis, Structure, and Properties of the New Intermetallic Compounds SrPdTl2 and SrPtTl2","Inorganic Chemistry","2003","42","","4898","4901","10.1021/ic030089k","","","0.71073","MoKα","","0.042","0.0375","","","0.1018","0.1063","","","","","","0.862","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314159","40.847","0.002","13.213","0.0007","16.8179","0.0009","90","","90","","90","","9076.8","0.8","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- Cs8 H38 Nb6 O96 Si2 W18 -","- Cs7.958 Nb6 O96 Si2 W18 -","- Cs31.832 Nb24 O384 Si8 W72 -","4","0.25","","Gyu-Shik Kim; Huadong Zeng; Wade A. Neiwert; Jennifer J. Cowan; Donald VanDerveer; Craig L. Hill; Ira A. Weinstock","Dimerization of A-α-[SiNb3W9O40]7- by pH-Controlled Formation of Individual Nb-μ-O-Nb Linkages","Inorganic Chemistry","2003","42","","5537","5544","10.1021/ic0341845","","","0.71073","MoKα","","0.1353","0.0685","","0.1647","","0.1407","","","1.023","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315464","9.6976","0.0009","16.3685","0.0015","15.9331","0.0018","90","","90","","90","","2529.1","0.4","140","2","140","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C22 H16 Co F12 N2 O4 -","- C22 H16 Co F12 N2 O4 -","- C88 H64 Co4 F48 N8 O16 -","4","0.25","","Fabrice Riblet; Ghenadie Novitchi; Rosario Scopelliti; Lothar Helm; Aurelian Gulea; André E. Merbach","Isomerization Mechanisms of Stereolabile tris- and bis-Bidentate Octahedral Cobalt(II) Complexes: X-ray Structure and Variable Temperature and Pressure NMR Kinetic Investigations","Inorganic Chemistry","2010","49","","4194","4211","10.1021/ic902494j","","","0.71073","MoKα","","0.04","0.0312","","","0.0735","0.077","","","","","","1.081","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315903","16.504","0.004","12.411","0.003","12.38","0.003","90","","90","","90","","2535.8","1.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cd24.94 Rb16 Sb36 -","- Cd24.936 Rb16 Sb36 -","- Cd24.936 Rb16 Sb36 -","1","0.0625","","Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Yi Liu; Ling Chen","Rb16Cd25.39(3)Sb36: An Electron-Deficient Zintl Phase Containing Infinite Dodecahedron Chains","Inorganic Chemistry","2010","49","","5890","5896","10.1021/ic100360n","","","0.71073","MoKα","","0.0244","0.0217","","","0.0499","0.0508","","","","","","1.105","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315904","16.513","0.006","12.413","0.004","12.395","0.004","90","","90","","90","","2540.7","1.5","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cd25.03 Rb16 Sb36 -","- Cd25.032 Rb16 Sb36 -","- Cd25.032 Rb16 Sb36 -","1","0.0625","","Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Yi Liu; Ling Chen","Rb16Cd25.39(3)Sb36: An Electron-Deficient Zintl Phase Containing Infinite Dodecahedron Chains","Inorganic Chemistry","2010","49","","5890","5896","10.1021/ic100360n","","","0.71073","MoKα","","0.0267","0.0242","","","0.0525","0.0536","","","","","","1.178","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315905","16.499","0.005","12.391","0.004","12.4","0.004","90","","90","","90","","2535","1.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cd25.39 Rb16 Sb36 -","- Cd25.392 Rb16 Sb36 -","- Cd25.392 Rb16 Sb36 -","1","0.0625","","Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Yi Liu; Ling Chen","Rb16Cd25.39(3)Sb36: An Electron-Deficient Zintl Phase Containing Infinite Dodecahedron Chains","Inorganic Chemistry","2010","49","","5890","5896","10.1021/ic100360n","","","0.71073","MoKα","","0.0279","0.0259","","","0.0612","0.0622","","","","","","1.191","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315906","16.503","0.0013","12.3899","0.0008","12.4224","0.0009","90","","90","","90","","2540","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cd25.47 Rb16 Sb36 -","- Cd25.472 Rb16 Sb36 -","- Cd25.472 Rb16 Sb36 -","1","0.0625","","Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Yi Liu; Ling Chen","Rb16Cd25.39(3)Sb36: An Electron-Deficient Zintl Phase Containing Infinite Dodecahedron Chains","Inorganic Chemistry","2010","49","","5890","5896","10.1021/ic100360n","","","0.71073","MoKα","","0.0291","0.0254","","","0.0569","0.0586","","","","","","1.017","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315907","16.523","0.006","12.395","0.004","12.417","0.005","90","","90","","90","","2543","1.6","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cd25.46 Rb16 Sb36 -","- Cd25.464 Rb16 Sb36 -","- Cd25.464 Rb16 Sb36 -","1","0.0625","","Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Yi Liu; Ling Chen","Rb16Cd25.39(3)Sb36: An Electron-Deficient Zintl Phase Containing Infinite Dodecahedron Chains","Inorganic Chemistry","2010","49","","5890","5896","10.1021/ic100360n","","","0.71073","MoKα","","0.0311","0.0286","","","0.0673","0.0688","","","","","","1.118","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4316153","17.162","0.0007","13.1057","0.0007","12.7641","0.0007","90","","90","","90","","2870.9","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C30 H19 N5 O6 Re2 -","- C30 H19 N5 O6 Re2 -","- C120 H76 N20 O24 Re8 -","4","0.25","","Yi-Hsiu Tseng; Dibyendu Bhattacharya; Shih-Ming Lin; P. Thanasekaran; Jing-Yun Wu; Li-Wei Lee; M. Sathiyendiran; Mei-Lin Ho; Min-Wen Chung; Kung-Chung Hsu; Pi-Tai Chou; Kuang-Lieh Lu","Highly Emissive Cyclometalated Rhenium Metallacycles: Structure-Luminescence Relationship","Inorganic Chemistry","2010","49","","6805","6807","10.1021/ic100882u","","","0.71073","MoKα","","0.0674","0.0368","","","0.077","0.0872","","","","","","1.075","","","","has coordinates,has disorder","179241","2020-10-21","18:00:00",""
"4316518","28.3412","0.0013","12.3443","0.0005","22.1155","0.0009","90","","90","","90","","7737.2","0.6","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C128 H46 N4 -","- C128 H46 N4 -","- C512 H184 N16 -","4","0.25","","P. Bhyrappa; K. Karunanithi","Porphyrin-Fullerene, C60, Cocrystallates: Influence of C60 on the Porphyrin Ring Conformation","Inorganic Chemistry","2010","49","","8389","8400","10.1021/ic101030h","","","0.71073","MoKα","","0.0761","0.0475","","","0.1117","0.1339","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316519","28.27","0.002","12.2664","0.0008","22.0499","0.0014","90","","90","","90","","7646.3","0.9","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C128 H44 Co N4 -","- C128 H44 Co N4 -","- C512 H176 Co4 N16 -","4","0.25","","P. Bhyrappa; K. Karunanithi","Porphyrin-Fullerene, C60, Cocrystallates: Influence of C60 on the Porphyrin Ring Conformation","Inorganic Chemistry","2010","49","","8389","8400","10.1021/ic101030h","","","0.71073","MoKα","","0.0909","0.0673","","","0.1856","0.2141","","","","","","1.261","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316520","28.209","0.0015","12.5098","0.0006","22.0235","0.0008","90","","90","","90","","7771.8","0.6","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C128 H44 Cu N4 -","- C128 H44 Cu N4 -","- C512 H176 Cu4 N16 -","4","0.25","","P. Bhyrappa; K. Karunanithi","Porphyrin-Fullerene, C60, Cocrystallates: Influence of C60 on the Porphyrin Ring Conformation","Inorganic Chemistry","2010","49","","8389","8400","10.1021/ic101030h","","","0.71073","MoKα","","0.0447","0.0357","","","0.1044","0.1191","","","","","","1.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316573","16.841","0.006","27.981","0.01","10.298","0.004","90","","90","","90","","4853","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C35 H48 N2 O18 Zn2 -","- C30 H21 O8 Zn2 -","- C120 H84 O32 Zn8 -","4","0.25","","Xiaoliang Zhao; Haiyan He; Fangna Dai; Daofeng Sun; Yanxiong Ke","Supramolecular Isomerism in Honeycomb Metal-Organic Frameworks Driven by CH...π Interactions: Homochiral Crystallization from an Achiral Ligand through Chiral Inducement","Inorganic Chemistry","2010","49","","8650","8652","10.1021/ic100603g","","","0.71073","MoKα","","0.1107","0.0945","","","0.2576","0.2766","","","","","","1.077","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4317021","23.5973","0.0013","23.6053","0.0013","28.0515","0.0016","90","","90","","90","","15625.3","1.5","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C60 H38 N6 O9 Zn3 -","- C60 H38 N6 O9 Zn3 -","- C240 H152 N24 O36 Zn12 -","4","0.25","","Paul M. Barron; Curtis A. Wray; Chunhua Hu; Zhiyong Guo; Wonyoung Choe","A Bioinspired Synthetic Approach for Building Metal-Organic Frameworks with Accessible Metal Centers","Inorganic Chemistry","2010","49","","10217","10219","10.1021/ic101459j","","","0.71073","MoKα","","0.0495","0.041","","","0.1122","0.1155","","","","","","1.001","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317022","23.562","0.003","23.572","0.003","27.853","0.003","90","","90","","90","","15470","3","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C60 H40 Co3 N6 O10 -","- C60 H40 Co3 N6 O10 -","- C240 H160 Co12 N24 O40 -","4","0.25","","Paul M. Barron; Curtis A. Wray; Chunhua Hu; Zhiyong Guo; Wonyoung Choe","A Bioinspired Synthetic Approach for Building Metal-Organic Frameworks with Accessible Metal Centers","Inorganic Chemistry","2010","49","","10217","10219","10.1021/ic101459j","","","0.71073","MoKα","","0.1483","0.0996","","","0.2606","0.2926","","","","","","1.05","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317027","3.9457","0.0008","12.214","0.003","9.1209","0.0019","90","","90","","90","","439.56","0.17","297","2","297","2","","","","","","","","3","C m c m","-C 2c 2","63","Uranium iron selenide","","","- Fe Se3 U -","- Fe Se3 U -","- Fe4 Se12 U4 -","4","0.25","","Geng Bang Jin; Emilie Ringe; Gary J. Long; Fernande Grandjean; Moulay T. Sougrati; Eun Sang Choi; Daniel M. Wells; Mahalingam Balasubramanian; James A. Ibers","Structural, Electronic, and Magnetic Properties of UFeS3 and UFeSe3","Inorganic Chemistry","2010","49","","10455","10467","10.1021/ic101474e","","","0.71073","MoKα","","0.0282","0.0263","","","0.0619","0.0625","","","","","","1.706","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317028","3.7911","0.0001","11.5746","0.0003","8.6888","0.0002","90","","90","","90","","381.269","0.017","80","2","80","2","","","","","","","","3","C m c m","-C 2c 2","63","Uranium iron sulfide","","","- Fe S3 U -","- Fe S3 U -","- Fe4 S12 U4 -","4","0.25","","Geng Bang Jin; Emilie Ringe; Gary J. Long; Fernande Grandjean; Moulay T. Sougrati; Eun Sang Choi; Daniel M. Wells; Mahalingam Balasubramanian; James A. Ibers","Structural, Electronic, and Magnetic Properties of UFeS3 and UFeSe3","Inorganic Chemistry","2010","49","","10455","10467","10.1021/ic101474e","","","0.71073","MoKα","","0.0152","0.0152","","","0.0489","0.0489","","","","","","1.599","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317029","3.7905","0.0001","11.574","0.0003","8.688","0.0002","90","","90","","90","","381.153","0.017","100","2","100","2","","","","","","","","3","C m c m","-C 2c 2","63","Uranium iron sulfide","","","- Fe S3 U -","- Fe S3 U -","- Fe4 S12 U4 -","4","0.25","","Geng Bang Jin; Emilie Ringe; Gary J. Long; Fernande Grandjean; Moulay T. Sougrati; Eun Sang Choi; Daniel M. Wells; Mahalingam Balasubramanian; James A. Ibers","Structural, Electronic, and Magnetic Properties of UFeS3 and UFeSe3","Inorganic Chemistry","2010","49","","10455","10467","10.1021/ic101474e","","","0.71073","MoKα","","0.0152","0.0152","","","0.0453","0.0453","","","","","","1.518","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317030","3.8009","0.0001","11.6148","0.0004","8.7022","0.0003","90","","90","","90","","384.17","0.02","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","Uranium iron sulfide","","","- Fe S3 U -","- Fe S3 U -","- Fe4 S12 U4 -","4","0.25","","Geng Bang Jin; Emilie Ringe; Gary J. Long; Fernande Grandjean; Moulay T. Sougrati; Eun Sang Choi; Daniel M. Wells; Mahalingam Balasubramanian; James A. Ibers","Structural, Electronic, and Magnetic Properties of UFeS3 and UFeSe3","Inorganic Chemistry","2010","49","","10455","10467","10.1021/ic101474e","","","0.71073","MoKα","","0.0149","0.0149","","","0.043","0.043","","","","","","1.417","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317406","8.8151","0.0006","23.1028","0.0016","16.0683","0.0011","90","","90","","90","","3272.4","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","Cs5PMo8032H6","","","- Cs5 H6 Mo8 O32 P -","- Cs5 H6 Mo8 O32 P -","- Cs20 H24 Mo32 O128 P4 -","4","0.25","","Eddy Dumas; Slavi C. Sevov","Synthesis and Characterization of Cs5P[Mo4O14(OH)]2.2H2O: A New Molybdophosphate Cluster with Face-Sharing MoO6Octahedra","Inorganic Chemistry","2002","41","","144","146","10.1021/ic010900w","","","0.71073","MoKα","","0.0208","0.0191","","","0.0472","0.048","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317670","4.1935","0.0014","15.753","0.005","11.102","0.004","90","","90","","90","","733.4","0.4","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Se3 Sm Zn -","- Cs Se3 Sm Zn -","- Cs4 Se12 Sm4 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0344","0.0275","","","0.0618","0.0663","","","","","","1.057","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317671","4.1514","0.0006","15.785","0.002","10.9634","0.0015","90","","90","","90","","718.43","0.17","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Se3 Tb Zn -","- Cs Se3 Tb Zn -","- Cs4 Se12 Tb4 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0279","0.0247","","","0.0653","0.0678","","","","","","1.232","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317672","4.1282","0.0009","15.767","0.004","10.91","0.003","90","","90","","90","","710.1","0.3","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Dy Se3 Zn -","- Cs Dy Se3 Zn -","- Cs4 Dy4 Se12 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0311","0.027","","","0.0657","0.0675","","","","","","1.083","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317673","4.1275","0.0005","15.814","0.002","10.8974","0.0014","90","","90","","90","","711.3","0.15","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Ho Se3 Zn -","- Cs Ho Se3 Zn -","- Cs4 Ho4 Se12 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0297","0.0277","","","0.0743","0.0754","","","","","","1.396","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317674","4.1166","0.0006","15.816","0.002","10.8574","0.0017","90","","90","","90","","706.91","0.18","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Er Se3 Zn -","- Cs Er Se3 Zn -","- Cs4 Er4 Se12 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0303","0.0274","","","0.0727","0.0743","","","","","","1.215","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317675","4.104","0.003","15.825","0.013","10.818","0.009","90","","90","","90","","702.6","1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Se3 Tm Zn -","- Cs Se3 Tm Zn -","- Cs4 Se12 Tm4 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0249","0.022","","","0.062","0.0635","","","","","","1.114","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317676","4.0853","0.0004","15.7864","0.0015","10.8068","0.001","90","","90","","90","","696.95","0.11","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Se3 Yb Zn -","- Cs Se3 Yb Zn -","- Cs4 Se12 Yb4 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0317","0.0288","","","0.0739","0.0751","","","","","","1.249","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317677","4.1409","0.0004","15.8145","0.0015","10.9284","0.0011","90","","90","","90","","715.66","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Se3 Y Zn -","- Cs Se3 Y Zn -","- Cs4 Se12 Y4 Zn4 -","4","0.25","","Kwasi Mitchell; Christy L. Haynes; Adam D. McFarland; Richard P. Van Duyne; James A. Ibers","Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties, and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and Y)","Inorganic Chemistry","2002","41","","1199","1204","10.1021/ic011200u","","","0.71073","MoKα","","0.0245","0.0225","","","0.0677","0.0691","","","","","","1.235","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4318459","9.236","0.009","25.149","0.009","13.805","0.009","90","","90","","90","","3207","4","296.2","","296.2","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C26 H35 Mo N5 S4 -","- C26 Mo N5 S4 -","- C104 Mo4 N20 S16 -","4","0.25","","Maochun Hong; Rong Cao; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Synthesis and Reactions of Group 6 Metal Half-Sandwich Complexes of 2,2-Dicyanoethylene-1,1-dichalcogenolates [(Cp*)M{E2CC(CN)2}2]- (M = Mo, W; E = S, Se)","Inorganic Chemistry","2002","41","","4824","4833","10.1021/ic025609a","","","0.7107","MoKα","","0.0431","0.0431","","","0.0597","0.0597","","","","","","3.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318460","9.248","0.002","25.124","0.004","13.772","0.002","90","","90","","90","","3199.9","1","296.2","","296.2","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C26 H35 N5 S4 W -","- C26 N5 S4 W -","- C104 N20 S16 W4 -","4","0.25","","Maochun Hong; Rong Cao; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Synthesis and Reactions of Group 6 Metal Half-Sandwich Complexes of 2,2-Dicyanoethylene-1,1-dichalcogenolates [(Cp*)M{E2CC(CN)2}2]- (M = Mo, W; E = S, Se)","Inorganic Chemistry","2002","41","","4824","4833","10.1021/ic025609a","","","0.7107","MoKα","","0.0329","0.0274","","","0.0382","0.0387","","","","","","2.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318732","7.9993","0.0005","8.7416","0.0006","11.4413","0.0008","90","","90","","90","","800.05","0.09","193","2","193","2","","","","","","","","5","C m c m","-C 2c 2","63","Potassium Uranyl Tellurite","","","- H K O8 Te2 U -","- K O8 Te2 U -","- K4 O32 Te8 U4 -","4","0.25","","Philip M. Almond; Thomas E. Albrecht-Schmitt","Expanding the Remarkable Structural Diversity of Uranyl Tellurites: Hydrothermal Preparation and Structures of K[UO2Te2O5(OH)], Tl3{(UO2)2[Te2O5(OH)](Te2O6)}.2H2O, β-Tl2[UO2(TeO3)2], and Sr3[UO2(TeO3)2](TeO3)2","Inorganic Chemistry","2002","41","","5495","5501","10.1021/ic025820m","","","0.71073","MoKα","","0.0171","0.0171","","","0.0411","0.0411","","","","","","1.139","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318759","10.4974","0.0007","23.915","0.002","36.047","0.002","90","","90","","90","","9049.4","1.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","K38Nb7As24","","","- As24 K38 Nb7 -","- As24 K38 Nb7 -","- As96 K152 Nb28 -","4","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of K38Nb7As24 and Cs9Nb2As6: The First Mixed-Valence Transition-Metal Zintl Phases","Inorganic Chemistry","2002","41","","5920","5924","10.1021/ic020250b","","","0.71073","MoKα","","0.1118","0.0598","","","0.134","0.157","","","","","","1.008","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318886","11.304","0.002","22.429","0.004","15.768","0.002","90","","90","","90","","3997.8","1.1","203","2","203","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C32 H70 Al O6 Sm -","- C32 Al O6 Sm -","- C128 Al4 O24 Sm4 -","4","0.25","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott; John G. Watkin; Kenneth J. Young","Salt-Free Synthesis of Samarium-Aluminum Mixed-Metal Alkoxides: X-ray Crystal Structures of {[(i-Pr-O)(i-Bu)Al(μ-O-i-Pr)2Sm(O-i-Pr)(HO-i-Pr)](μ-O-i-Pr)}2, [(THF)2Sm(O-t-Bu)2(μ-O-t-Bu)2Al(i-Bu)2], Sm(OAr)3(THF)3 (Ar = 2,4,6-Me3C6H2), [Nd(μ-OAr)(OAr)2(py)2]2 (Ar = 2,4,6-Me3C6H2), and (ArO)3Sm[(μ-O-t-Bu)2Al2(O-t-Bu)4] (Ar = 2,6-i-Pr2C6H3)","Inorganic Chemistry","2002","41","","6372","6379","10.1021/ic0203116","","","0.71073","MoKα","","0.0673","0.0582","","","0.1691","0.1746","","","","","","1.268","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319151","9.0293","0.0018","20.568","0.004","10.264","0.002","90","","90","","90","","1906.2","0.6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","Cp2W(dmit)AsF6","Bis(cyclopentadienyl)(1,3-dithiole-2-thione-4,5-dithiolato)tungsten(V) hexafluoroarsenate","","- C13 H10 As F6 S5 W -","- C13 H10 As F6 S5 W -","- C52 H40 As4 F24 S20 W4 -","4","0.25","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.0278","0.0207","","","0.0362","0.0375","","","","","","0.985","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319152","9.071","0.002","20.868","0.004","10.243","0.002","90","","90","","90","","1938.9","0.7","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","Cp2Mo(dsit),AsF6","Bis(cyclopentadienyl)(4,5-diselenato-1,3-dithiole-2-thione)molybdenum(V) hexafluorophosphate","","- C13 H10 As F6 Mo S3 Se2 -","- C13 H10 As F6 Mo S3 Se2 -","- C52 H40 As4 F24 Mo4 S12 Se8 -","4","0.25","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.1204","0.0333","","0.072","0.0576","","","","1.018","1.152","1.152","","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319272","12.351","0.002","12.086","0.002","14.302","0.002","90","","90","","90","","2134.9","0.6","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C16 H29 Cl2 N Si2 -","- C16 H29 Cl2 N Si2 -","- C64 H116 Cl8 N4 Si8 -","4","0.25","","Vadapalli Chandrasekhar; Selvarajan Nagendran; Ramamoorthy Boomishankar; Raymond J. Butcher","Effect of Sterically Hindered Ligands on the Solid-State Structures of Organosilanediols Containing Si-N Bonds","Inorganic Chemistry","2001","40","","940","945","10.1021/ic000487c","","","0.71073","MoKα","","0.1192","0.0724","","","0.2081","0.246","","","","","","1.023","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00",""
"4319350","11.386","0.002","7.756","0.002","11.985","0.002","90","","90","","90","","1058.4","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cu2 K2 Te5 -","- Cu2 K2 Te5 -","- Cu8 K8 Te20 -","4","0.25","","Xuean Chen; Xiaoying Huang; Jing Li","Rb~4~Hg~5~(Te~2~)~2~(Te~3~)~2~Te~3, [Zn(en)~3~]~4~In~16~(Te~2~)~4~(Te~3~)Te~22~, and K~2~Cu~2~(Te~2~)(Te~3~): Novel Metal Polytellurides with Unusual Metal-Tellurium Coordination","Inorganic Chemistry","2001","40","","1341","1346","10.1021/ic000648c","","","0.71073","MoKα","","0.0546","0.0317","","","0.064","0.0686","","","","","","1.134","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4320316","4.1839","0.0006","13.8935","0.0019","10.6692","0.0015","90","","90","","90","","620.19","0.15","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba Cu Gd Se3 -","- Ba Cu Gd Se3 -","- Ba4 Cu4 Gd4 Se12 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.0241","0.0218","","","0.0518","0.0526","","","","","","0.881","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320317","4.1684","0.0007","15.765","0.003","11.0089","0.0018","90","","90","","90","","723.4","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Se3 Zn -","- Cs Gd Se3 Zn -","- Cs4 Gd4 Se12 Zn4 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.022","0.0196","","","0.0474","0.0495","","","","","","0.952","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320318","4.1443","0.0007","15.786","0.003","10.7188","0.0018","90","","90","","90","","701.2","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu Se3 U -","- Cs Cu Se3 U -","- Cs4 Cu4 Se12 U4 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.0289","0.0284","","","0.0713","0.0717","","","","","","1.313","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320319","3.903","0.002","15.841","0.01","10.215","0.006","90","","90","","90","","631.6","0.6","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu Se3 Zr -","- Cs Cu Se3 Zr -","- Cs4 Cu4 Se12 Zr4 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.0289","0.0284","","","0.0657","0.066","","","","","","1.304","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320353","12.6463","0.0007","16.2348","0.0009","19.8038","0.0011","90","","90","","90","","4065.9","0.4","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- H32 N4 O8 Re4 S20 Te4 -","- N4 O8 Re4 S20 Te4 -","- N16 O32 Re16 S80 Te16 -","4","0.25","","Yuri V. Mironov; Michael A. Pell; Thomas E. Albrecht-Schmitt; James A. Ibers","The Mixed Polychalcogenorhenate(IV) Anions [Re4Q4(S3)4(S4)2]4- (Q = Se, Te): Syntheses and Crystal Structures of [NMe4]5[Me2NH2]3[Re4Se4(S3)4(S4)2]2.2.25H2O and [NH4]4[Re4Te4(S3)4(S4)2].8H2O","Inorganic Chemistry","2001","40","","5472","5474","10.1021/ic010434a","","","0.71073","MoKα","","0.0296","0.0265","","","0.0631","0.0649","","","","","","1.061","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4321877","18.1364","0.0009","9.3524","0.0009","6.664","0.001","90","","90","","90","","1130.3","0.2","293.2","","293.2","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C12 H8 N4 Pt -","- C12 H8 N4 Pt -","- C48 H32 N16 Pt4 -","4","0.25","","Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura","Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions","Inorganic Chemistry","1999","38","","1638","1641","10.1021/ic981027a","","","0.7107","MoKα","","0.0276","0.0253","","0.0673","0.0659","0.0673","","","1.028","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322024","14.441","0.003","15.194","0.003","14.085","0.003","90","","90","","90","","3090.5","1.1","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","Oxophthalocyaninato molibden(V) triiodide","","","- C32 H16 I3 Mo N8 O -","- C32 H16 I3 Mo N8 O -","- C128 H64 I12 Mo4 N32 O4 -","4","0.25","","Jan Janczak; Ryszard Kubiak","Synthesis, Structure, and Characterization of Oxomolybdenum(V) Phthalocyaninato(2-) Triiodide","Inorganic Chemistry","1999","38","","2429","2433","10.1021/ic9900410","","","0.71073","MoKα","","0.0319","0.023","","","0.056","0.0592","","","","","","1.028","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4323099","28.282","0.003","10.337","0.003","16.285","0.004","90","","90","","90","","4760.9","1.9","296.2","","296.2","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C7.5 H1.5 Cu0.5 F3 N3 P0.5 -","- C353 Cu29 F72 N154 P9 -","- C5648 Cu464 F1152 N2464 P144 -","16","1","","Megumu Munakata; Gui Ling Ning; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Takashi Horino","Construction of Copper(I) Coordination Polymers of 1,2,4,5-Tetracyanobenzene with Zigzag Sheet and Porous Frameworks","Inorganic Chemistry","1998","37","","5651","5656","10.1021/ic980427v","","","0.7107","MoKα","","0.0567","0.0567","","","0.0631","0.0631","","","","","","2.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323536","8.866","0.001","11.371","0.002","5.22","0.001","90","","90","","90","","526.26","0.15","296.2","","296.2","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca3 H2 Sn -","- Ca3 H2 Sn -","- Ca12 H8 Sn4 -","4","0.25","","Baoquan Huang; John D. Corbett","Intermetallic Hydrides as Zintl Phases: A3TtH2 Compounds (A = Ca, Yb; Tt = Sn, Pb) and Their Structural Relationship to the Corresponding Oxides","Inorganic Chemistry","1997","36","","3730","3734","10.1021/ic970289u","","","0.7107","MoKalpha","","","0.0149","","","0.0193","","","","","2.329","2.329","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323537","8.937","0.001","11.47","0.002","5.2551","0.0007","90","","90","","90","","538.69","0.13","296.2","","296.2","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca3 H2 Pb -","- Ca3 H2 Pb -","- Ca12 H8 Pb4 -","4","0.25","","Baoquan Huang; John D. Corbett","Intermetallic Hydrides as Zintl Phases: A3TtH2 Compounds (A = Ca, Yb; Tt = Sn, Pb) and Their Structural Relationship to the Corresponding Oxides","Inorganic Chemistry","1997","36","","3730","3734","10.1021/ic970289u","","","0.7107","MoKalpha","","","0.0227","","","0.0253","","","","","1.409","1.409","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323596","8.979","0.001","19.448","0.006","50.43","0.02","90","","90","","90","","8806","5","273.2","","273.2","","","","","","","","stoichiometric reaction of elements","2","C m c m","-C 2c 2","63","","","","- Na5 Sn13 -","- Na5 Sn13 -","- Na80 Sn208 -","16","1","","J. T. Vaughey; John D. Corbett","Na5Sn13: A New Zintl Phase with a Complex Network Structure Constructed from Tin Pentagons","Inorganic Chemistry","1997","36","","4316","4320","10.1021/ic9703181","","","0.7107","MoKalpha","","","0.0666","","","0.0824","","","","","2.241","2.241","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4324796","13.031","0.002","18.932","0.002","5.767","0.0006","90","","90","","90","","1422.7","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La4 P9 Rh8 -","- La4 P9 Rh8 -","- La16 P36 Rh32 -","4","0.25","","Ulrike Pfannenschmidt; Dirk Johrendt; Frederik Behrends; Hellmut Eckert; Matthias Eul; Rainer Pöttgen","P22- and P3- Units in the [Rh8P9]δ- Polyanion of La4Rh8P9","Inorganic Chemistry","2011","50","","3044","3051","10.1021/ic102570x","","","0.71073","MoKα","","0.0267","0.0181","","","0.0268","0.0279","","","","","","1.011","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324907","7.153","0.0014","8.2648","0.0017","8.3895","0.0017","90","","90","","90","","495.97","0.17","150","2","150","2","","","","","","","","3","C m c m","-C 2c 2","63","ZHAO1800","","","- B3 H12 N -","- B3 H12 N -","- B12 H48 N4 -","4","0.25","","Zhenguo Huang; Xuenian Chen; Teshome Yisgedu; Edward A. Meyers; Sheldon G. Shore; Ji-Cheng Zhao","Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release","Inorganic Chemistry","2011","50","","3738","3742","10.1021/ic2000987","","","0.71073","MoKα","","0.0411","0.037","","","0.1117","0.1153","","","","","","1.132","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325386","19.522","0.002","34.155","0.005","38.237","0.004","90","","90","","90","","25495","5","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","U30Py6","","","- K24 O217 P12 U30 -","- K24 O217 P12 U30 -","- K96 O868 P48 U120 -","4","0.25","","Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns","Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra","Inorganic Chemistry","2011","50","","5509","5516","10.1021/ic200065y","","","0.71073","MoKα","","0.1075","0.0853","","","0.2318","0.245","","","","","","1.853","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4327363","4.2618","0.0007","15.715","0.003","11.2232","0.0019","90","","90","","90","","751.7","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Mn Se3 Sm -","- Cs Mn Se3 Sm -","- Cs4 Mn4 Se12 Sm4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; El'ad N. Caspi; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; James D. Jorgensen; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, and Selected Physical Properties of CsLnMnSe3 (Ln = Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Y) and AYbZnQ3 (A = Rb, Cs; Q = S, Se, Te)","Inorganic Chemistry","2004","43","","1082","1089","10.1021/ic030232+","","","0.71073","MoKα","","0.0184","0.0177","","","0.0481","0.0486","","","","","","0.981","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327364","4.2355","0.0008","15.761","0.003","11.138","0.002","90","","90","","90","","743.5","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Mn Se3 -","- Cs Gd Mn Se3 -","- Cs4 Gd4 Mn4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; El'ad N. Caspi; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; James D. Jorgensen; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, and Selected Physical Properties of CsLnMnSe3 (Ln = Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Y) and AYbZnQ3 (A = Rb, Cs; Q = S, Se, Te)","Inorganic Chemistry","2004","43","","1082","1089","10.1021/ic030232+","","","0.71073","MoKα","","0.0205","0.0186","","","0.0488","0.0498","","","","","","0.985","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4328187","11.078","0.002","8.4864","0.0017","5.5686","0.0011","90","","90","","90","","523.52","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au6.16 Ga3.84 K2 -","- Au6.164 Ga3.836 K2 -","- Au12.328 Ga7.672 K4 -","2","0.125","","Volodymyr Smetana; John D. Corbett; Gordon J. Miller","Four Polyanionic Compounds in the K-Au-Ga System: A Case Study in Exploratory Synthesis and of the Art of Structural Analysis","Inorganic Chemistry","2012","51","","1695","1702","10.1021/ic201999u","","","0.71073","MoKα","","0.0344","0.0271","","","0.0595","0.0629","","","","","","1.059","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328382","21.859","0.004","11.5288","0.0018","21.861","0.003","90","","90","","90","","5509.1","1.5","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H28 O23 Pr2 S2 -","- C12 H6 O23 Pr2 S2 -","- C96 H48 O184 Pr16 S16 -","8","0.5","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.1044","0.0551","","","0.1154","0.1389","","","","","","1.003","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328393","28.152","0.003","42.662","0.005","40.296","0.004","90","","90","","90","","48396","9","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","U50Ox20","","","- C40 K13 O368 U50 -","- C40 K13 O368 U50 -","- C160 K52 O1472 U200 -","4","0.25","","Jie Ling; Jie Qiu; Peter C. Burns","Uranyl Peroxide Oxalate Cage and Core-Shell Clusters Containing 50 and 120 Uranyl Ions","Inorganic Chemistry","2012","51","","2403","2408","10.1021/ic202380g","","","0.71073","MoKα","","0.0735","0.0555","","","0.1936","0.2081","","","","","","1.598","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328546","4.4724","0.0004","18.8254","0.0016","6.9424","0.0006","90","","90","","90","","584.51","0.09","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Ge3 Li2 -","- Ce2 Ge3 Li2 -","- Ce8 Ge12 Li8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0171","0.0142","","","0.0333","0.0344","","","","","","1.081","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328548","4.5311","0.0019","19.001","0.008","7.008","0.003","90","","90","","90","","603.4","0.4","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 La2 Li2 -","- Ge3 La2 Li2 -","- Ge12 La8 Li8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0495","0.0351","","","0.0747","0.0823","","","","","","1.006","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328550","4.4222","0.0007","18.658","0.003","6.8905","0.001","90","","90","","90","","568.53","0.15","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 Li2 Nd2 -","- Ge3 Li2 Nd2 -","- Ge12 Li8 Nd8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0219","0.02","","","0.0472","0.0483","","","","","","1.113","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328552","4.4432","0.001","18.723","0.004","6.9113","0.0016","90","","90","","90","","575","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 Li2 Pr2 -","- Ge3 Li2 Pr2 -","- Ge12 Li8 Pr8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0378","0.0265","","","0.0511","0.0554","","","","","","1.057","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328554","4.372","0.0005","18.494","0.002","6.8403","0.0007","90","","90","","90","","553.08","0.1","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 Li2 Sm2 -","- Ge3 Li2 Sm2 -","- Ge12 Li8 Sm8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0238","0.0191","","","0.0453","0.0484","","","","","","1.071","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4329003","34.428","0.002","24.9433","0.0017","23.3876","0.0016","90","","90","","90","","20084","2","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- K5 O61 Pd15 Se10 -","- K5 O61 Pd15 Se10 -","- K60 O732 Pd180 Se120 -","12","0.75","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.1086","0.0653","","","0.1922","0.2319","","","","","","1.064","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4330270","11.6649","0.0005","7.0953","0.0003","11.7585","0.0005","90","","90","","90","","973.2","0.07","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","rubidium zinc arsenide (2/5/4)","rubidium zinc arsenide (2/5/4)","","- As4 Rb2 Zn5 -","- As4 Rb2 Zn5 -","- As16 Rb8 Zn20 -","4","0.25","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn5As4(A = K, Rb): Zintl Phases Built fromStellae Quadrangulae","Inorganic Chemistry","2012","51","","9517","9521","10.1021/ic301311m","","","0.71073","MoKα","","0.02","0.0161","","","0.0325","0.0336","","","","","","1.077","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330271","11.5758","0.0005","7.0476","0.0003","11.6352","0.0005","90","","90","","90","","949.22","0.07","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","potassium zinc arsenide (2/5/4)","potassium zinc arsenide (2/5/4)","","- As4 K2 Zn5 -","- As4 K2 Zn5 -","- As16 K8 Zn20 -","4","0.25","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn5As4(A = K, Rb): Zintl Phases Built fromStellae Quadrangulae","Inorganic Chemistry","2012","51","","9517","9521","10.1021/ic301311m","","","0.71073","MoKα","","0.0146","0.0138","","","0.0314","0.0317","","","","","","1.28","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4331492","14.215","0.007","9.376","0.005","16.615","0.009","90","","90","","90","","2214","2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H16 Co N12 Ni -","- C18 H16 Co N12 Ni -","- C72 H64 Co4 N48 Ni4 -","4","0.25","","Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","12","4263","4269","10.1021/ic050099g","","","0.71073","MoKα","","0.1026","0.0674","","","0.1879","0.208","","","","","","0.977","","","","has coordinates,has disorder","179417","2020-10-21","18:00:00",""
"4331516","10.769","0.002","16.164","0.003","7.6414","0.0012","90","","90","","90","","1330.1","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- B La Ni3 -","- B La Ni3 -","- B16 La16 Ni48 -","16","1","","Filinchuk, Yaroslav E.; Yvon, Klaus","Boron-Induced Hydrogen Localization in the Novel Metal Hydride LaNi3BHx(x= 2.5−3.0)","Inorganic Chemistry","2005","44","12","4398","4406","10.1021/ic050416j","","","0.71069","MoKα","","0.0868","0.0684","","","0.16","0.1673","","","","","","1.148","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331831","5.30687","0.00023","20.2424","0.001","5.94791","0.00027","90","","90","","90","","638.95","0.05","510","","","","","","","","","","","5","C m c m","-C 2c 2","63","rubidium triflate","rubidium trifluoromethyl sulfonate","","- C F3 O3 Rb S -","- C F3 O3 Rb S -","- C4 F12 O12 Rb4 S4 -","4","0.25","","Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin","Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3","Inorganic Chemistry","2006","45","8","3217","3223","10.1021/ic0516313","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332023","9.5555","0.0006","15.0696","0.001","12.2893","0.0007","90","","90","","90","","1769.63","0.19","100","","100","","","","","","","","see paper","6","C m c m","-C 2c 2","63","","","","- C3 H12 Ga Mn0.5 N3 S2 -","- C3 H12 Ga Mn0.5 N3 S2 -","- C24 H96 Ga8 Mn4 N24 S16 -","8","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0393","0.0211","","0.0297","0.0246","0.0246","","","","","","0.8381","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332024","9.466","0.0007","15.099","0.0011","12.254","0.0008","90","","90","","90","","1751.4","0.2","100","","100","","","","","","","","see paper","6","C m c m","-C 2c 2","63","","","","- C3 H12 Co0.5 Ga N3 S2 -","- C3 H12 Co0.5 Ga N3 S2 -","- C24 H96 Co4 Ga8 N24 S16 -","8","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0575","0.0201","","0.0334","0.0211","0.0211","","","","","","1.1174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332025","9.451","0.001","15.1416","0.0015","12.2387","0.0011","90","","90","","90","","1751.4","0.3","100","","100","","","","","","","","see paper","6","C m c m","-C 2c 2","63","","","","- C3 H12 Ga N3 Ni0.5 S2 -","- C3 H12 Ga N3 Ni0.5 S2 -","- C24 H96 Ga8 N24 Ni4 S16 -","8","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0663","0.0237","","0.0586","0.0232","0.0232","","","","","","1.0726","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332195","26.854","0.005","14.287","0.003","14.697","0.003","90","","90","","90","","5639","2","193","2","193","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C29 H36 Br2 Cu6 Li N3 S6 W2 -","- C29 H36 Br2 Cu6 Li N3 S6 W2 -","- C116 H144 Br8 Cu24 Li4 N12 S24 W8 -","4","0.25","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.71073","MoKα","","0.1065","0.1027","","","0.2172","0.2193","","","","","","1.216","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332497","14.3106","0.0015","6.9974","0.0013","11.499","0.0008","90","","90","","90","","1151.5","0.3","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Yan, Bangbo; Luo, Junhua; Dube, Paul; Sefat, Athena S.; Greedan, John E.; Maggard, Paul A.","Spin-Gap Formation and Thermal Structural Studies in Reduced Hybrid Layered Vanadates","Inorganic Chemistry","2006","45","13","5109","5118","10.1021/ic0604563","","","0.71073","MolybdenumKα","","0.023","0.019","","0.027","0.027","","","","","1.81","1.81","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332498","14.2372","0.0004","6.9008","0.0002","11.5102","0.0003","90","","90","","90","","1130.85","0.05","273","2","273","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 N2 Ni O10 V4 -","- C4 H4 N2 Ni O10 V4 -","- C16 H16 N8 Ni4 O40 V16 -","4","0.25","","Yan, Bangbo; Luo, Junhua; Dube, Paul; Sefat, Athena S.; Greedan, John E.; Maggard, Paul A.","Spin-Gap Formation and Thermal Structural Studies in Reduced Hybrid Layered Vanadates","Inorganic Chemistry","2006","45","13","5109","5118","10.1021/ic0604563","","","0.71073","MoKα","","0.0245","0.0206","","","0.0596","0.0611","","","","","","1.045","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332499","14.4248","0.0013","6.9702","0.0006","11.4792","0.001","90","","90","","90","","1154.16","0.18","223","","223","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 N2 O10 V4 Zn -","- C4 H4 N2 O10 V4 Zn -","- C16 H16 N8 O40 V16 Zn4 -","4","0.25","","Yan, Bangbo; Luo, Junhua; Dube, Paul; Sefat, Athena S.; Greedan, John E.; Maggard, Paul A.","Spin-Gap Formation and Thermal Structural Studies in Reduced Hybrid Layered Vanadates","Inorganic Chemistry","2006","45","13","5109","5118","10.1021/ic0604563","","","0.71073","MolybdenumKα","","0.039","0.036","","0.056","0.056","","","","","1.88","1.88","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333553","3.896","0.002","12.731","0.007","15.77","0.009","90","","90","","90","","782.2","0.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- In8 Mn4 Pb4 S20 -","- In8.036 Mn3.964 Pb4 S20 -","- In8.036 Mn3.964 Pb4 S20 -","1","0.0625","","Peng Yu; Li-Ming Wu; Ling Chen","PbMnIn2S5: Synthesis, Structure, and Properties","Inorganic Chemistry","2013","52","","724","728","10.1021/ic3018584","","","0.71073","MoKα","","0.0215","0.0215","","","0.0533","0.0533","","","","","","1.107","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4334693","5.58816","0.00013","12.2298","0.0003","4.55477","0.00011","90","","90","","90","","311.282","0.013","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Rubidiumpotassiumdigalliumtetrahydride","","- Ga H2 K0.5 Rb0.5 -","- D2 Ga K0.48584 Rb0.51416 -","- D8 Ga4 K1.94336 Rb2.05664 -","4","0.25","","Henrik Fahlquist; Dag Noréus; Magnus H. Sørby","Varying the Alkali-Metal Radii in (KxRb1-x)n[GaH2]n (0 <=x<= 1) Reorients a Stable Polyethylene-Structured [GaH2]nn- Anionic Chain","Inorganic Chemistry","2013","52","","4771","4773","10.1021/ic400224a","powder diffraction","neutron","1.5557","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1481","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4334891","12.5414","0.0011","18.421","0.0018","15.6352","0.0012","90","","90","","90","","3612.1","0.5","173","","173","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C27 H28 Cu F9 N4 O3 P S -","- C27 H28 Cu F9 N4 O3 P S -","- C108 H112 Cu4 F36 N16 O12 P4 S4 -","4","0.25","","Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura","Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method","Inorganic Chemistry","2013","52","","5630","5632","10.1021/ic400276c","","","0.71075","MoKα","","","0.0618","","","","0.1796","","","","","","1.073","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334892","12.5389","0.0007","18.3335","0.0008","15.6977","0.0008","90","","90","","90","","3608.6","0.3","173","","173","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C30 H34 Cu F9 N4 O4 P S -","- C30 H34 Cu F9 N4 O4 P S -","- C120 H136 Cu4 F36 N16 O16 P4 S4 -","4","0.25","","Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura","Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method","Inorganic Chemistry","2013","52","","5630","5632","10.1021/ic400276c","","","0.71075","MoKα","","","0.0505","","","","0.1429","","","","","","1.062","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4335662","4.5508","0.0008","16.753","0.003","9.1342","0.0016","90","","90","","90","","696.4","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La2 Sn Zn5 -","- La2 Sn Zn5 -","- La8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0348","0.0259","","","0.0542","0.0568","","","","","","1.141","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335663","4.5047","0.0014","16.638","0.005","9.104","0.003","90","","90","","90","","682.3","0.4","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Sn Zn5 -","- Ce2 Sn Zn5 -","- Ce8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0171","0.0153","","","0.03","0.0305","","","","","","1.16","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335664","4.4756","0.0005","16.564","0.0018","9.0747","0.001","90","","90","","90","","672.74","0.13","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Pr2 Sn Zn5 -","- Pr2 Sn Zn5 -","- Pr8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0184","0.0154","","","0.036","0.0374","","","","","","1.117","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335665","4.4494","0.0015","16.51","0.006","9.066","0.003","90","","90","","90","","666","0.4","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Nd2 Sn Zn5 -","- Nd2 Sn Zn5 -","- Nd8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0394","0.0274","","","0.0596","0.0648","","","","","","1.082","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335666","4.555","0.0004","16.8373","0.0015","9.1721","0.0008","90","","90","","90","","703.44","0.11","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La2 Pb Zn5 -","- La2 Pb Zn5 -","- La8 Pb4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0259","0.0251","","","0.057","0.0575","","","","","","1.104","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335667","4.514","0.0012","16.751","0.004","9.159","0.002","90","","90","","90","","692.5","0.3","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Pb Zn5 -","- Ce2 Pb Zn5 -","- Ce8 Pb4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.025","0.0204","","","0.0392","0.0404","","","","","","1.112","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335668","4.4636","0.0008","16.632","0.003","9.124","0.0016","90","","90","","90","","677.4","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Pb Pr2 Zn5 -","- Pb Pr2 Zn5 -","- Pb4 Pr8 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0223","0.0204","","","0.0361","0.0365","","","","","","1.156","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335669","4.4594","0.0008","16.622","0.003","9.1187","0.0017","90","","90","","90","","675.9","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Nd2 Pb Zn5 -","- Nd2 Pb Zn5 -","- Nd8 Pb4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0298","0.0254","","","0.0513","0.0525","","","","","","1.126","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335776","18.672","0.006","17.99","0.006","6.718","0.002","90","","90","","90","","2256.6","1.2","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","K~3~[Fe~4~(HPO~4~)][Ge~2~O(OH)(PO~4~)~2~].2H~2~O","","","- Fe4 Ge2 H7 K3 O28 P6 -","- Fe4 Ge2 H3 K3 O28 P6 -","- Fe16 Ge8 H12 K12 O112 P24 -","4","0.25","","Ya-Xi Huang; Biao Liu; Lei Wen; Xin Zhang; Wei Sun; Jun Lin; Chun-Zuo Huang; Rong-Chuan Zhuang; Jin-Xiao Mi; Jing-Tai Zhao","Structural Assembly from Phosphate to Germanophosphate by Applying Germanate as a Binder","Inorganic Chemistry","2013","52","","9169","9171","10.1021/ic401329d","","","0.71073","MoKα","","0.056","0.0486","","","0.0971","0.0996","","","","","","1.158","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335777","19.069","0.005","19.104","0.005","6.7711","0.0017","90","","90","","90","","2466.7","1.1","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","K~3~[Cd~4~(HPO~4~)~2~][Ge~2~O(OH)(PO~4~)~4~].3H~2~O","","","- Cd4 Ge2 H9 K3 O29 P6 -","- Cd4 Ge2 H3 K3 O29 P6 -","- Cd16 Ge8 H12 K12 O116 P24 -","4","0.25","","Ya-Xi Huang; Biao Liu; Lei Wen; Xin Zhang; Wei Sun; Jun Lin; Chun-Zuo Huang; Rong-Chuan Zhuang; Jin-Xiao Mi; Jing-Tai Zhao","Structural Assembly from Phosphate to Germanophosphate by Applying Germanate as a Binder","Inorganic Chemistry","2013","52","","9169","9171","10.1021/ic401329d","","","0.71073","MoKα","","0.0429","0.0377","","","0.0953","0.0994","","","","","","1.078","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335898","3.5956","0.0002","21.2456","0.0005","7.3893","0.0003","90","","90","","90","","564.47","0.04","300","","300","","","","","","","","","6","C m c m","-C 2c 2","63","NaMnMoO3F3-H2O","NaMnMoO3F3-H2O","","- F3 H2 Mn0.97 Mo Na O4 -","- F3 H2 Mn0.96772 Mo Na O4 -","- F12 H8 Mn3.87088 Mo4 Na4 O16 -","4","0.25","","Jessica Nava-Avendaño; Carlos Frontera; José A. Ayllón; Judith Oró-Solé; Premkumar Senguttuvan; M. Rosa Palacín","Synthesis and Characterization of a Novel Sodium Transition Metal Oxyfluoride: NaMnMoO3F3.H2O","Inorganic Chemistry","2013","52","","9791","9797","10.1021/ic401447p","powder diffraction","neutron","1.5941","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.2289","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336422","5.58762","0.00016","8.45679","0.00027","6.52132","0.00023","90","","90","","90","","308.154","0.017","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr Mn O4 -","- Cr Mn O4 -","- Cr4 Mn4 O16 -","4","0.25","","Vladimir B. Nalbandyan; Elena A. Zvereva; Galina E. Yalovega; Igor L. Shukaev; Anastasiya P. Ryzhakova; Alexander A. Guda; Alessandro Stroppa; Silvia Picozzi; Alexander N. Vasiliev; Myung-Hwan Whangbo","Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet","Inorganic Chemistry","2013","52","","11850","11858","10.1021/ic401391b","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.10136","","1.23","","","","","","","has coordinates,has Fobs","179467","2020-10-21","18:00:00",""
"4336587","7.6975","0.0003","18.2843","0.0007","22.0603","0.0009","90","","90","","90","","3104.8","0.2","294","2","294","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F19 Fe6 K3 -","- F19 Fe6 K3 -","- F152 Fe48 K24 -","8","0.5","","Francesco Mezzadri; Gianluca Calestani; Lara Righi; Chiara Pernechele; Massimo Solzi; Clemens Ritter","Triangular Exchange Interaction Patterns in K3Fe6F19: An Iron Potassium Fluoride with a Complex Tungsten Bronze Related Structure","Inorganic Chemistry","2013","52","","12599","12604","10.1021/ic401749q","","","0.71073","MoKα","","0.0497","0.0359","","","0.1034","0.1079","","","","","","1.361","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336602","4.1883","0.0004","24.844","0.002","17.6056","0.0017","90","","90","","90","","1831.9","0.3","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","rubidium zinc arsenide (4/7/7)","rubidium zinc arsenide (4/7/7)","","- As7 Rb4 Zn7 -","- As7 Rb4 Zn7 -","- As28 Rb16 Zn28 -","4","0.25","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers","Inorganic Chemistry","2013","52","","12682","12690","10.1021/ic401887b","","","0.71073","MoKα","","0.1311","0.0614","","","0.1293","0.1606","","","","","","1.028","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336603","4.3911","0.0008","26.546","0.005","18.743","0.004","90","","90","","90","","2184.8","0.7","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","rubidium manganese zinc antimonide (4/3.5/3.5/7)","rubidium manganese zinc antimonide (4/3.5/3.5/7)","","- Mn3.5 Rb4 Sb7 Zn3.5 -","- Mn3.414 Rb4 Sb7 Zn3.586 -","- Mn13.656 Rb16 Sb28 Zn14.344 -","4","0.25","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers","Inorganic Chemistry","2013","52","","12682","12690","10.1021/ic401887b","","","0.71073","MoKα","","0.0675","0.0341","","","0.059","0.0676","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336635","5.738","0.005","8.492","0.008","6.582","0.006","90","","90","","90","","320.7","0.5","300","","300","","","","","","","","HP-DAC","3","C m c m","-C 2c 2","63","Indium Vanadate-III","InVO4-III","","- In O4 V -","- In O4 V -","- In4 O16 V4 -","4","0.25","","Daniel Errandonea; Oscar Gomis; Braulio García-Domene; Julio Pellicer-Porres; Vasundhara Katari; S. Nagabhusan Achary; Avesh K. Tyagi; Catalin Popescu","New Polymorph of InVO4: A High-Pressure Structure with Six-Coordinated Vanadium","Inorganic Chemistry","2013","52","","12790","12798","10.1021/ic402043x","powder diffraction","x-ray","0.4246","monochromatic-beam","","","","","","","","","","0.85","","","","","","","has coordinates,has Fobs","179469","2020-10-21","18:00:00",""
"4336805","7.4016","0.0003","12.7813","0.0014","13.598","0.0012","90","","90","","90","","1286.4","0.19","173.05","0.1","173.05","0.1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 Fe Gd N6 O4 -","- C6 H8 Fe Gd N6 O4 -","- C24 H32 Fe4 Gd4 N24 O16 -","4","0.25","","Marine Perrier; Samir Kenouche; Jêrôme Long; Kalaivani Thangavel; Joulia Larionova; Christophe Goze-Bac; Alessandro Lascialfari; Manuel Mariani; Nathalie Baril; Christian Guérin; Bruno Donnadieu; Alexander Trifonov; Yannick Guari","Investigation on NMR Relaxivity of Nano-Sized Cyano-Bridged Coordination Polymers","Inorganic Chemistry","2013","52","","13402","13414","10.1021/ic401710j","","","0.71073","MoKα","","0.0179","0.0164","","","0.0364","0.0367","","","","","","1.134","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4337481","3.8517","0.0001","45.453","0.0009","15.5814","0.0003","90","","90","","90","","2727.86","0.1","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi6 Cl4 Na O7.5 -","- Bi5.99995 Cl4 Na1.00005 O7.5 -","- Bi47.9996 Cl32 Na8.0004 O60 -","8","0.5","","Lü, Minfeng; Aliev, Almaz; Olchowka, Jacob; Colmont, Marie; Huvé, Marielle; Wickleder, Claudia; Mentré, Olivier","Multidimensional open-frameworks: combinations of one-dimensional channels and two-dimensional layers in novel BI/M oxo-chlorides.","Inorganic chemistry","2014","53","1","528","536","10.1021/ic402578m","","x-ray","0.71073","MoKα","","0.0303","0.0215","","","0.0258","0.0271","","","","1.4","1.4","1.33","","","","has coordinates","288070","2023-12-06","12:51:36",""
"4337482","3.8695","0.0002","31.737","0.002","15.7602","0.0007","90","","90","","90","","1935.45","0.18","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Bi9 Cl5 Mn0.821 O12 Pb0.179 -","- Bi9 Cl4.9999 Mn0.8 O12 Pb0.2 -","- Bi36 Cl19.9996 Mn3.2 O48 Pb0.8 -","4","0.25","","Lü, Minfeng; Aliev, Almaz; Olchowka, Jacob; Colmont, Marie; Huvé, Marielle; Wickleder, Claudia; Mentré, Olivier","Multidimensional open-frameworks: combinations of one-dimensional channels and two-dimensional layers in novel BI/M oxo-chlorides.","Inorganic chemistry","2014","53","1","528","536","10.1021/ic402578m","","x-ray","0.71073","MoKα","","0.0515","0.0468","","","0.0652","0.0668","","","","1.08","1.08","1.03","","","","has coordinates","288070","2023-12-06","12:51:47",""
"4338170","9.1005","0.0004","10.1855","0.0004","9.1118","0.0005","90","","90","","90","","844.6","0.07","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al10 Os2 Yb -","- Al10 Os2 Yb -","- Al40 Os8 Yb4 -","4","0.25","","Zhang, Xu; Yi, Wei; Feng, Kai; Wu, Desheng; Yang, Yifeng; Zheng, Ping; Yao, Jiyong; Matsushita, Yoshitaka; Sato, Akira; Jiang, Hongwei; Wang, Hai; Shi, Youguo; Yamaura, Kazunari; Wang, Nanlin","Crystal Growth, Structural, Electrical, and Magnetic Properties of Mixed-Valent Compounds YbOs2Al10 and LuOs2Al10.","Inorganic chemistry","2014","53","9","4387","4393","10.1021/ic403168v","","","0.71073","MoKα","","0.0291","0.0288","","","0.0793","0.0795","","","","","","1.442","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338171","9.0947","0.0004","10.1608","0.0005","9.1007","0.0004","90","","90","","90","","840.99","0.07","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al10 Lu Os2 -","- Al10 Lu Os2 -","- Al40 Lu4 Os8 -","4","0.25","","Zhang, Xu; Yi, Wei; Feng, Kai; Wu, Desheng; Yang, Yifeng; Zheng, Ping; Yao, Jiyong; Matsushita, Yoshitaka; Sato, Akira; Jiang, Hongwei; Wang, Hai; Shi, Youguo; Yamaura, Kazunari; Wang, Nanlin","Crystal Growth, Structural, Electrical, and Magnetic Properties of Mixed-Valent Compounds YbOs2Al10 and LuOs2Al10.","Inorganic chemistry","2014","53","9","4387","4393","10.1021/ic403168v","","","0.71073","MoKα","","0.0363","0.0357","","","0.0904","0.0909","","","","","","1.09","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338309","6.203","0.001","18.654","0.004","6.301","0.002","90","","90","","90","","729.1","0.3","200","2","200","2","","","","","","","","5","C m c m","-C 2c 2","63","Dipotassium pentafluoronitrosyltechnetate(II)monohydrate","Dipotassium pentafluoronitrosyltechnetate(II) monohydrate","","- F5 K2 N O2 Tc -","- F5 K2 N O2 Tc -","- F20 K8 N4 O8 Tc4 -","4","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0677","0.0636","","","0.1784","0.1855","","","","","","1.111","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338310","6.469","0.001","18.96","0.003","6.492","0.001","90","","90","","90","","796.3","0.2","200","2","200","2","","","","","","","","5","C m c m","-C 2c 2","63","Dirubidium pentafluoronitrosyltechnetate(II) monohydrate","Dirubidium pentafluoronitrosyltechnetate(II) monohydrate","","- F5 N O2 Rb2 Tc -","- F5 N O2 Rb2 Tc -","- F20 N4 O8 Rb8 Tc4 -","4","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0592","0.0546","","","0.143","0.1563","","","","","","1.113","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338358","4.4799","0.0002","9.9827","0.0003","13.7854","0.001","90","","90","","90","","616.5","0.06","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mg5 Nd Ni -","- Mg5 Nd Ni -","- Mg20 Nd4 Ni4 -","4","0.25","","Ourane, Bassem; Gaudin, Etienne; Zouari, Ridha; Couillaud, Samuel; Bobet, Jean-Louis","NdNiMg5, a new magnesium-rich phase with an unusual structural type.","Inorganic chemistry","2013","52","23","13289","13291","10.1021/ic401911g","","x-ray","0.71069","MoKα","","0.0251","0.0211","","","0.0531","0.0555","","","","1.34","1.34","1.34","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338939","4.0052","0.001","12.996","0.003","9.865","0.003","90","","90","","90","","513.5","0.2","193","2","193","2","","","","","","","","3","C m c m","-C 2c 2","63","praseodymium lutetium selenide","","","- Lu Pr Se3 -","- Lu Pr Se3 -","- Lu4 Pr4 Se12 -","4","0.25","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Syntheses, structures, magnetism, and optical properties of lutetium-based interlanthanide selenides.","Inorganic chemistry","2007","46","22","9213","9220","10.1021/ic701012j","","","0.71073","MoKα","","0.0444","0.0429","","","0.1042","0.1049","","","","","","1.163","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338940","3.9946","0.0005","13.0015","0.0017","9.8583","0.0013","90","","90","","90","","512","0.11","193","2","193","2","","","","","","","","3","C m c m","-C 2c 2","63","neodymium lutetium selenide","","","- Lu Nd Se3 -","- Lu Nd Se3 -","- Lu4 Nd4 Se12 -","4","0.25","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Syntheses, structures, magnetism, and optical properties of lutetium-based interlanthanide selenides.","Inorganic chemistry","2007","46","22","9213","9220","10.1021/ic701012j","","","0.71073","MoKα","","0.0228","0.0226","","","0.0599","0.0601","","","","","","1.331","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339250","9.525","0.002","16.531","0.005","13.245","0.003","90","","90","","90","","2085.5","0.9","193","2","193","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H60 In4 N12 Ni2 S8 -","- C18 In4 N12 Ni2 S8 -","- C36 In8 N24 Ni4 S16 -","2","0.125","","Zhou, Jian; Bian, Guo-Qing; Zhang, Yong; Zhu, Qin-Yu; Li, Chun-Yin; Dai, Jie","One-dimensional indium sulfides with transition metal complexes of polyamines.","Inorganic chemistry","2007","46","16","6347","6352","10.1021/ic070334q","","","0.71073","MoKα","","0.0463","0.0403","","","0.1098","0.1142","","","","","","1.184","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339526","4.0953","0.0011","10.735","0.003","14.335","0.004","90","","90","","90","","630.2","0.3","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Gd3 Ge4 -","- Gd3 Ge4 -","- Gd12 Ge16 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.0238","0.0217","","","0.0492","0.0501","","","","","","1.149","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339527","4.0629","0.0007","10.6647","0.0019","14.245","0.003","90","","90","","90","","617.2","0.2","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge4 Tb3 -","- Ge4 Tb3 -","- Ge16 Tb12 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.0226","0.0214","","","0.0434","0.044","","","","","","1.205","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339528","4.0401","0.0011","10.604","0.003","14.159","0.004","90","","90","","90","","606.6","0.3","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Dy3 Ge4 -","- Dy3 Ge4 -","- Dy12 Ge16 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.0316","0.0265","","","0.0542","0.0559","","","","","","1.12","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339529","4.0305","0.0017","10.582","0.004","14.138","0.006","90","","90","","90","","603","0.4","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge4 Ho3 -","- Ge4 Ho3 -","- Ge16 Ho12 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.0257","0.0217","","","0.0447","0.0458","","","","","","1.183","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339530","4.0011","0.0014","10.521","0.004","14.074","0.005","90","","90","","90","","592.5","0.4","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er3 Ge4 -","- Er3 Ge4 -","- Er12 Ge16 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.032","0.0252","","","0.0526","0.0544","","","","","","1.052","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339531","3.98","0.002","10.481","0.005","14.035","0.007","90","","90","","90","","585.5","0.5","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge4 Tm3 -","- Ge4 Tm3 -","- Ge16 Tm12 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.0528","0.0358","","","0.0716","0.0766","","","","","","1.046","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339532","4.0562","0.0015","10.63","0.004","14.2","0.005","90","","90","","90","","612.3","0.4","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge4 Y3 -","- Ge4 Y3 -","- Ge16 Y12 -","4","0.25","","Tobash, Paul H.; DiFilippo, Gary; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Structure and properties of Gd3Ge4: the orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm).","Inorganic chemistry","2007","46","21","8690","8697","10.1021/ic7009034","","","0.71073","MoKα","","0.0314","0.0247","","","0.0555","0.0582","","","","","","1.06","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339903","3.9374","0.0006","13.813","0.002","17.5","0.003","90","","90","","90","","951.8","0.3","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","dipotassium tricopper uranium pentasulfide","","- Cu3 K2 S5 U -","- Cu3 K2 S5 U -","- Cu12 K8 S20 U4 -","4","0.25","","Gray, Danielle L.; Backus, Lisa A.; von Nidda, Hans-Albrecht Krug; Skanthakumar, S.; Loidl, Alois; Soderholm, L.; Ibers, James A.","A U(V) chalcogenide: synthesis, structure, and characterization of K2Cu3US5.","Inorganic chemistry","2007","46","17","6992","6996","10.1021/ic700774g","","","0.71073","MoKα","","0.025","0.0229","","","0.055","0.0554","","","","","","1.634","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340029","4.568","0.002","16.027","0.008","18.453","0.009","90","","90","","90","","1351","1.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Rb0.4 Sm0.8 Te2 -","- Ag1.2 Rb0.4 Sm0.8 Te2 -","- Ag12 Rb4 Sm8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0234","0.0229","","","0.0602","0.0605","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340030","4.548","0.003","16.06","0.011","18.417","0.013","90","","90","","90","","1345.2","1.6","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Gd0.8 Rb0.4 Te2 -","- Ag1.2 Gd0.8 Rb0.4 Te2 -","- Ag12 Gd8 Rb4 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0251","0.0236","","","0.0558","0.0566","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340031","4.529","0.003","16.061","0.013","18.32","0.013","90","","90","","90","","1332.6","1.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Rb0.4 Tb0.8 Te2 -","- Ag1.2 Rb0.4 Tb0.8 Te2 -","- Ag12 Rb4 Tb8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0305","0.0269","","","0.0618","0.0636","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340032","4.5324","0.0008","16.102","0.002","18.324","0.003","90","","90","","90","","1337.3","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Dy0.8 Rb0.4 Te2 -","- Ag1.2 Dy0.8 Rb0.4 Te2 -","- Ag12 Dy8 Rb4 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0333","0.029","","","0.0489","0.0501","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340033","4.62","0.002","16.232","0.008","18.835","0.01","90","","90","","90","","1412.5","1.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Pr0.8 Te2 -","- Ag1.2 Cs0.4 Pr0.8 Te2 -","- Ag12 Cs4 Pr8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0289","0.0282","","","0.0699","0.0703","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340034","4.609","0.003","16.217","0.009","18.749","0.011","90","","90","","90","","1401.4","1.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Nd0.8 Te2 -","- Ag1.2 Cs0.4 Nd0.8 Te2 -","- Ag12 Cs4 Nd8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0211","0.02","","","0.0342","0.0344","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340035","4.5795","0.0006","16.2514","0.0016","18.648","0.002","90","","90","","90","","1387.8","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Sm0.8 Te2 -","- Ag1.2 Cs0.4 Sm0.8 Te2 -","- Ag12 Cs4 Sm8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0235","0.0208","","","0.041","0.0418","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340036","4.552","0.003","16.255","0.011","18.552","0.013","90","","90","","90","","1372.7","1.6","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Gd0.8 Te2 -","- Ag1.2 Cs0.4 Gd0.8 Te2 -","- Ag12 Cs4 Gd8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0282","0.0243","","","0.0492","0.0754","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340037","4.5415","0.0006","16.304","0.003","18.502","0.002","90","","90","","90","","1370","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Tb0.8 Te2 -","- Ag1.2 Cs0.4 Tb0.8 Te2 -","- Ag12 Cs4 Tb8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.021","0.0191","","","0.035","0.0356","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340038","4.523","0.003","16.286","0.012","18.471","0.014","90","","90","","90","","1360.6","1.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Dy0.8 Te2 -","- Ag1.2 Cs0.4 Dy0.8 Te2 -","- Ag12 Cs4 Dy8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0345","0.0303","","","0.0651","0.0668","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340039","4.5226","0.001","16.299","0.003","18.455","0.004","90","","90","","90","","1360.4","0.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Ho0.8 Te2 -","- Ag1.2 Cs0.4 Ho0.8 Te2 -","- Ag12 Cs4 Ho8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0344","0.028","","","0.0516","0.0534","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340040","4.504","0.002","16.316","0.008","18.409","0.01","90","","90","","90","","1352.8","1.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Er0.8 Te2 -","- Ag1.2 Cs0.4 Er0.8 Te2 -","- Ag12 Cs4 Er8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0272","0.0231","","","0.0495","0.0514","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340057","4.1471","0.0016","16.46","0.006","3.9711","0.0015","90","","90","","90","","271.07","0.18","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.22 Gd Ge2 -","- Al0.22 Gd Ge2 -","- Al0.88 Gd4 Ge8 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.03","0.0246","","","0.0516","0.0531","","","","","","1.094","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340058","4.1499","0.0011","16.334","0.004","3.9712","0.001","90","","90","","90","","269.19","0.12","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.21 Ge2 Tb -","- Al0.21 Ge2 Tb -","- Al0.84 Ge8 Tb4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0283","0.0231","","","0.0547","0.0574","","","","","","1.119","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340059","4.0823","0.0008","16.218","0.003","3.933","0.0007","90","","90","","90","","260.39","0.08","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.17 Dy Ge2 -","- Al0.17 Dy Ge2 -","- Al0.68 Dy4 Ge8 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0212","0.0207","","","0.0527","0.0529","","","","","","1.207","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340060","4.073","0.003","16.097","0.01","3.927","0.003","90","","90","","90","","257.5","0.3","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.16 Ge2 Ho -","- Al0.16 Ge2 Ho -","- Al0.64 Ge8 Ho4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0223","0.0207","","","0.0467","0.0473","","","","","","1.149","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340061","4.0656","0.0015","16.018","0.006","3.9199","0.0014","90","","90","","90","","255.27","0.16","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.15 Er Ge2 -","- Al0.15 Er Ge2 -","- Al0.6 Er4 Ge8 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0181","0.017","","","0.0371","0.038","","","","","","1.16","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340062","4.0353","0.001","15.875","0.004","3.8983","0.0009","90","","90","","90","","249.73","0.11","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.13 Ge2 Tm -","- Al0.12 Ge2 Tm -","- Al0.48 Ge8 Tm4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0206","0.0202","","","0.0449","0.045","","","","","","1.09","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340063","4.0097","0.0007","15.708","0.003","3.8766","0.0007","90","","90","","90","","244.17","0.08","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.1 Ge2 Lu -","- Al0.1 Ge2 Lu -","- Al0.4 Ge8 Lu4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0171","0.0159","","","0.0394","0.0399","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340064","4.1059","0.001","16.301","0.004","3.9465","0.001","90","","90","","90","","264.14","0.11","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.17 Ge2 Y -","- Al0.17 Ge2 Y -","- Al0.68 Ge8 Y4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.026","0.0248","","","0.0585","0.0589","","","","","","1.263","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340169","15.063","0.007","16.132","0.007","21.297","0.008","90","","90","","90","","5175","4","155.2","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C42 H69 Cu2 N7 O13 -","- C42 H66 Cu2 N7 O13 -","- C168 H264 Cu8 N28 O52 -","4","0.25","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0588","","","","0.1453","","","","","","2.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340202","14.2529","0.0008","26.1686","0.0018","27.4119","0.0016","90","","90","","90","","10224","1.1","153","2","153","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C32.5 H46 Cu2 F8 N6 O10 S3.5 -","- C32.5 H46 Cu2 F8 N6 O10 S3.5 -","- C260 H368 Cu16 F64 N48 O80 S28 -","8","0.5","","Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel","Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.","Inorganic chemistry","2006","45","6","2501","2508","10.1021/ic051759k","","","0.71073","MoKα","","0.2295","0.1043","","","0.2742","0.3254","","","","","","0.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340960","18.0529","0.001","9.0139","0.0005","18.1341","0.001","90","","90","","90","","2950.9","0.3","223","2","223","2","","","","","","","","6","C m c m","-C 2c 2","63","eiswe17","","","- C22 H18 Cl4 Mo N2 S4 -","- C22 H18 Cl4 Mo N2 S4 -","- C88 H72 Cl16 Mo4 N8 S16 -","4","0.25","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0473","0.0356","","","0.0947","0.1021","","","","","","1.031","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4341190","13.7068","0.0005","14.0495","0.0005","13.9218","0.0005","90","","90","","90","","2680.97","0.17","300","2","300","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C40 H24 Ag2 B4 Co2 F16 N20 O8 -","- C40 H24 Ag2 B4 Co2 F16 N20 O8 -","- C80 H48 Ag4 B8 Co4 F32 N40 O16 -","2","0.125","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0459","0.0396","","","0.1156","0.1377","","","","","","1.161","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341191","13.6516","0.0002","13.985","0.0001","13.7572","0.0001","90","","90","","90","","2626.49","0.05","100","2","100","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C20 H12 Ag B2 Co F8 N10 O4 -","- C20 H12 Ag B2 Co F8 N10 O4 -","- C80 H48 Ag4 B8 Co4 F32 N40 O16 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0526","0.0453","","","0.1208","0.1283","","","","","","1.088","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341192","13.708","0.003","14.079","0.002","13.798","0.003","90","","90","","90","","2662.9","0.9","90","2","90","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C20 H16 Ag B2 Co F8 N10 O6 -","- C20 H16 Ag B2 Co F8 N10 O6 -","- C80 H64 Ag4 B8 Co4 F32 N40 O24 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0415","0.0371","","","0.1034","0.1075","","","","","","1.085","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341193","14.014","0.0014","14.4385","0.0014","13.676","0.0014","90","","90","","90","","2767.2","0.5","89","2","89","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C21.5 H15 Ag B F4 N10 Ni O4.5 -","- C21.5 H15 Ag B F4 N10 Ni O4.5 -","- C86 H60 Ag4 B4 F16 N40 Ni4 O18 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0823","0.0526","","","0.1431","0.1613","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341194","13.7009","0.0006","14.0524","0.0005","13.9539","0.0006","90","","90","","90","","2686.55","0.19","373","2","373","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C20 H12 Ag B2 Co F8 N10 O4 -","- C20 H12 Ag B2 Co F8 N10 O4 -","- C80 H48 Ag4 B8 Co4 F32 N40 O16 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0524","0.0453","","","0.1368","0.1529","","","","","","1.072","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341415","3.13774","0.00004","10.2087","0.0001","7.45875","0.00009","90","","90","","90","","238.921","0.005","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Fe Na -","- F3 Fe Na -","- F12 Fe4 Na4 -","4","0.25","","Bernal, Fabian L.; Yusenko, Kirill V.; Sottmann, Jonas; Drathen, Christina; Guignard, Jérémy; Løvvik, Ole Martin; Crichton, Wilson A.; Margadonna, Serena","Perovskite to Postperovskite Transition in NaFeF3","Inorganic Chemistry","2014","","","141029080759008","","10.1021/ic502224y","powder diffraction","","0.3999","synchrotron","","","","","","","","","","1.33","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341765","4.2251","0.0002","11.2208","0.0005","12.7992","0.0005","90","","90","","90","","606.8","0.05","295","","295","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba2 Ge11.01 -","- Ba2 Ge11.008 -","- Ba4 Ge22.016 -","2","0.125","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","","","0.71073","MoKα","","","0.0342","","","","0","","","","","","1.01","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341768","4.769","0.0007","10.777","0.002","12.385","0.002","90","","90","","90","","636.53","0.18","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Ge6 -","- Ba Ge6 -","- Ba4 Ge24 -","4","0.25","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","powder diffraction","x-ray","1.54051","","","0.0289","0.0286","","0.0477","0.0477","","","","3.45","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342135","3.75","0.0008","12.11","0.002","9.18","0.0018","90","","90","","90","","416.89","0.14","100","2","100","2","","","","","","","","3","C m c m","-C 2c 2","63","ScUS3","","","- S3 Sc U -","- S3 Sc U -","- S12 Sc4 U4 -","4","0.25","","Prakash, Jai; Mesbah, Adel; Ward, Matthew D.; Lebègue, Sébastien; Malliakas, Christos D.; Lee, Minseong; Choi, Eun Sang; Ibers, James A.","Synthesis, Crystal Structure, Resistivity, Magnetic, and Theoretical Study of ScUS3.","Inorganic chemistry","2015","54","4","1684","1689","10.1021/ic502656u","","","0.71073","MoKα","","0.0343","0.0251","","","0.0537","0.0571","","","","","","1.131","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342691","18.885","0.003","28.732","0.004","24.969","0.004","90","","90","","90","","13548","4","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C50 H90 N12 O29 P4 Pd12 S -","- C50 H84 N12 O29 P4 Pd12 S -","- C200 H336 N48 O116 P16 Pd48 S4 -","4","0.25","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.0949","0.0467","","","0.1066","0.1168","","","","","","0.931","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342756","12.604","0.003","9.4717","0.0019","17.497","0.004","90","","90","","90","","2088.8","0.8","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","Co-btm-SCN","","","- C12 H14 Co N14 O S2 -","- C12 H14 Co N14 O S2 -","- C48 H56 Co4 N56 O4 S8 -","4","0.25","","Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song","Cobalt(II) Coordination Polymer Exhibiting Single-Ion-Magnet-Type Field-Induced Slow Relaxation Behavior.","Inorganic chemistry","2015","54","8","3716","3718","10.1021/ic5029299","","","0.71073","MoKα","","0.076","0.0591","","","0.1818","0.2137","","","","","","1.18","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342757","12.747","0.003","9.52","0.002","17.42","0.004","90","","90","","90","","2113.9","0.8","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","Ni-btm-SCN","","","- C12 H14 N14 Ni O S2 -","- C12 H14 N14 Ni O S2 -","- C48 H56 N56 Ni4 O4 S8 -","4","0.25","","Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song","Cobalt(II) Coordination Polymer Exhibiting Single-Ion-Magnet-Type Field-Induced Slow Relaxation Behavior.","Inorganic chemistry","2015","54","8","3716","3718","10.1021/ic5029299","","","0.71073","MoKα","","0.0567","0.0527","","","0.1502","0.155","","","","","","1.389","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342758","12.5908","0.0005","9.5436","0.0004","17.6577","0.0008","90","","90","","90","","2121.78","0.16","180","2","180","2","","","","","","","","6","C m c m","-C 2c 2","63","Zn(Co)-btm-SCN","","","- C12 H14 N14 O S2 Zn -","- C12 H14 N14 O S2 Zn -","- C48 H56 N56 O4 S8 Zn4 -","4","0.25","","Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song","Cobalt(II) Coordination Polymer Exhibiting Single-Ion-Magnet-Type Field-Induced Slow Relaxation Behavior.","Inorganic chemistry","2015","54","8","3716","3718","10.1021/ic5029299","","","0.71073","MoKα","","0.0415","0.0374","","","0.1509","0.1589","","","","","","1.043","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4343329","3.2016","0.0003","13.9059","0.0012","3.102","0.0002","90","","90","","90","","138.1","0.02","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al B W -","- Al B W -","- Al4 B4 W4 -","4","0.25","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0158","0.014","","","0.0294","0.0296","","","","","","1.21","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343331","3.1987","0.0004","13.9218","0.0014","3.0937","0.0003","90","","90","","90","","137.77","0.03","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al B Mo -","- Al B Mo -","- Al4 B4 Mo4 -","4","0.25","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0167","0.0145","","","0.0375","0.0379","","","","","","1.124","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343333","3.1418","0.0002","8.4961","0.0006","3.0721","0.0002","90","","90","","90","","82.004","0.009","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B Mo -","- B0.85 Mo -","- B3.4 Mo4 -","4","0.25","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71069","MoKα","","0.0263","0.0257","","","0.0645","0.0647","","","","","","1.117","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343843","10.7155","","16.1598","","7.6134","","90","","90","","90","","1318.34","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ni3 B D2.5","","- B D2.5 La Ni3 -","- B D2.51 La Ni3 -","- B16 D40.16 La16 Ni48 -","16","1","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343846","10.7709","","16.0852","","7.6365","","90","","90","","90","","1323.04","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ni3 B D2.73","","- B D2.73 La Ni3 -","- B D2.73 La Ni3 -","- B16 D43.68 La16 Ni48 -","16","1","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343849","10.74979","","16.1381","","7.63906","","90","","90","","90","","1325.23","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ni3 B H2.5","","- B H2.5 La Ni3 -","- B La Ni3 -","- B16 La16 Ni48 -","16","1","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343855","10.7627","","7.3772","","7.4558","","90","","90","","90","","591.98","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm3 Os O7","","- O7 Os Sm3 -","- O7 Os Sm3 -","- O28 Os4 Sm12 -","4","0.25","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.; Miller, G.J.; Mozharivsky, Yu.A.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343856","10.7338","","7.3872","","7.4544","","90","","90","","90","","591.08","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu3 Os O7","","- Eu3 O7 Os -","- Eu3 O7 Os -","- Eu12 O28 Os4 -","4","0.25","","Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343857","10.673","","7.404","","7.423","","90","","90","","90","","586.587","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 Os O7","","- Gd3 O7 Os -","- Gd3 O7 Os -","- Gd12 O28 Os4 -","4","0.25","","Gemmill, W.R.; Mozharivsky, Yu.A.; Smith, M.D.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343862","3.1232","","9.912","","7.3459","","90","","90","","90","","227.408","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca Pt O3","","- Ca O3 Pt -","- Ca O3 Pt -","- Ca4 O12 Pt4 -","4","0.25","","Inaguma, Y.; Hasumi, K.-I.; Ohba, T.; Katsumata, T.","High-pressure synthesis, structure, and characterization of a post-perovskite Ca Pt O3 with Ca Ir O3 - type structure","Inorganic Chemistry","2008","47","","1868","1870","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344060","7.2283","0.0004","9.0499","0.0006","34.619","0.002","90","","90","","90","","2264.6","0.2","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au17.29 Eu5 In4.71 -","- Au17.288 Eu5 In4.712 -","- Au69.152 Eu20 In18.848 -","4","0.25","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0858","0.0436","","","0.075","0.0896","","","","","","1.013","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344158","3.9594","","15.057","","15.216","","90","","90","","90","","907.127","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y5 Fe2 Te2","","- Fe2 Te2 Y5 -","- Fe2 Te2 Y5 -","- Fe8 Te8 Y20 -","4","0.25","","Maggard, P.A.; Corbett, J.D.","Two-dimensional metallic chain compounds Y5 M2 Te2 (M = Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4","Inorganic Chemistry","2004","43","","2556","2563","","","","","","","","","","","","","","","","","","","","","","has coordinates","158840","2020-10-21","18:00:00",""
"4344312","3.88","","9.02","","8.895","","90","","90","","90","","311.304","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Li4 Rh H5","","- H5 Li4 Rh -","- H5 Li4 Rh -","- H20 Li16 Rh4 -","4","0.25","","Lundberg, L.B.; Cromer, D.T.; Magee, C.B.","Structure and bonding of the lithium rhodium hydrides Li4 Rh H4 and Li4 Rh H5","Inorganic Chemistry","1972","11","","400","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344598","18.6824","0.0015","13.3999","0.0012","13.9329","0.001","90","","90","","90","","3488","0.5","173","2","173.15","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C56 Cl10 O -","- C56 Cl10 O -","- C224 Cl40 O4 -","4","0.25","","Zhang, Zhen-Qiang; Chen, Shu-Fen; Gao, Cong-Li; Zhou, Ting; Shan, Gui-Juan; Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Regioselective Oxidation of Fused-Pentagon Chlorofullerenes.","Inorganic chemistry","2016","55","2","543","545","10.1021/acs.inorgchem.5b02239","","","0.71073","MoKα","","0.0606","0.0584","","","0.1745","0.177","","","","","","1.115","","","","has coordinates","175519","2020-10-21","18:00:00",""
"4344833","4.7091","0.0019","7.599","0.002","18.744","0.006","90","","90","","90","","670.7","0.4","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B3 H12 K N2 -","- B3 H12 K N2 -","- B12 H48 K4 N8 -","4","0.25","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0404","0.0396","","0.0463","0.0462","","","","2.32","","","","","","","has coordinates","175662","2020-10-21","18:00:00",""
"4344883","5.1604","0.0011","9.1488","0.0018","17.745","0.003","90","","90","","90","","837.8","0.3","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ca Pd5.219 -","- Ca Pd5.219 -","- Ca8 Pd41.752 -","8","0.5","","Kilduff, Brandon J.; Fredrickson, Daniel C.","Chemical Pressure-Driven Incommensurability in CaPd5: Clues to High-Pressure Chemistry Offered by Complex Intermetallics.","Inorganic chemistry","2016","55","13","6781","6793","10.1021/acs.inorgchem.6b01124","","x-ray","0.71073","MoKα","","0.0832","0.0294","","","0.0721","0.095","","","","1.71","1.71","1.28","","","","has coordinates","184820","2020-10-21","18:00:00",""
"4345049","9.3369","0.0019","25.001","0.006","4.1165","0.0008","90","","90","","90","","960.9","0.4","538","","538","","5000","","","","","","","3","C m c m","-C 2c 2","63","","","","- D0.53 Ge Sr -","- D0.5275 Ge Sr -","- D8.44 Ge16 Sr16 -","16","1","","Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Kohlmann, Holger","In Situ Hydrogenation of the Zintl Phase SrGe.","Inorganic chemistry","2017","56","3","1072","1079","10.1021/acs.inorgchem.6b01945","powder diffraction","","1.86727","neutron","","","","","","","","","8.6563","2.17","","","","","","","has coordinates","193454","2020-10-21","18:00:00",""
"4345134","4.2567","0.0009","14.105","0.003","32.412","0.007","90","","90","","90","","1946","0.7","300","2","300","2","","","","","","","","3","C m c m","-C 2c 2","63","","Lead Bismuth Selenide (6/2/9)","","- Bi2 Pb6 Se9 -","- Bi2 Pb6 Se9 -","- Bi8 Pb24 Se36 -","4","0.25","","Casamento, Joseph; Lopez, Juan S.; Moroz, Nicholas A.; Olvera, Alan; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Poudeu, Pierre F. P.","Crystal Structure and Thermoelectric Properties of the (7,7)L Lillianite Homologue Pb6Bi2Se9.","Inorganic chemistry","2017","56","1","261","268","10.1021/acs.inorgchem.6b02118","","","0.71073","MoKα","","0.0498","0.0406","","","0.09","0.0917","","","","","","1.21","","","","has coordinates","191270","2020-10-21","18:00:00",""
"4345256","4.7659","0.0005","11.8281","0.0014","4.1542","0.0005","90","","90","","90","","234.18","0.05","618","","618","","5000","","","","","","","3","C m c m","-C 2c 2","63","","","","- D0.2 Ge Sr -","- D0.204 Ge Sr -","- D0.816 Ge4 Sr4 -","4","0.25","","Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Holger Kohlmann","In Situ Hydrogenation of the Zintl Phase SrGe","Inorganic Chemistry","2017","56","3","1072","1079","","powder diffraction","","1.86727","neutron","","","","","","","","","3.822","2.45","","","","","","","has coordinates","192483","2020-10-21","18:00:00",""
"4345554","17.933","0.0006","26.3905","0.0008","16.6146","0.0005","90","","90","","90","","7863","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C52 H116 Co4 N5 Na O28 -","- C52 H104 Co4 N5 Na O27.9991 -","- C208 H416 Co16 N20 Na4 O111.996 -","4","0.25","","Radu, Ioana; Kravtsov, Victor Ch; Ostrovsky, Serghei M.; Reu, Oleg S.; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia I.; Baca, Svetlana G.","Tetranuclear {Co(II)2Co(III)2}, Octanuclear {Co(II)4Co(III)4}, and Hexanuclear {Co(III)3Dy(III)3} Pivalate Clusters: Synthesis, Magnetic Characterization, and Theoretical Modeling.","Inorganic chemistry","2017","56","5","2662","2676","10.1021/acs.inorgchem.6b02827","","","0.71073","MoKα","","0.0714","0.0493","","","0.143","0.1567","","","","","","1.006","","","","has coordinates,has disorder","194683","2020-10-21","18:00:00",""
"4346650","18.448","0.001","20.356","0.002","17.192","0.001","90","","90","","90","","6456.1","0.8","230","","230","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C45 H84 Cr F Ni2 O18 -","- C45 H85.5 Cr0.9999 F Ni2.0001 O18 -","- C180 H342 Cr3.9996 F4 Ni8.0004 O72 -","4","0.25","","Walsh, James P. S.; Meadows, Sarah B.; Ghirri, Alberto; Moro, Fabrizio; Jennings, Martin; Smith, William F.; Graham, Darren M.; Kihara, Takumi; Nojiri, Hiroyuki; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component.","Inorganic chemistry","2015","54","24","12019","12026","10.1021/acs.inorgchem.5b01898","","","0.71073","MoKα","","0.072","0.0634","","","0.1907","0.2017","","","","","","1.061","","","","has coordinates,has disorder","231903","2020-10-21","18:00:00",""
"4347413","17.0192","0.0012","27.796","0.0017","9.3238","0.0004","90","","90","","90","","4410.8","0.5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C33 H14 N3.41 O6 Zn2 -","- C33 H14 N3.408 O6 Zn2 -","- C132 H56 N13.632 O24 Zn8 -","4","0.25","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","0.71073","MoKα","","0.111","0.0977","","","0.2907","0.3052","","","","","","1.075","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347953","16.085","0.007","10.152","0.004","14.291","0.006","90","","90","","90","","2333.6","1.7","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C20 H26 Cl2 N6 O2 U -","- C20 H20 Cl2 N6 O2 U -","- C80 H80 Cl8 N24 O8 U4 -","4","0.25","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.036","0.0287","","","0.0609","0.0633","","","","","","1.052","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4348332","6.8999","0.0004","18.8622","0.0009","23.8702","0.0011","90","","90","","90","","3106.6","0.3","100","","100","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C36 H49 Co N3 -","- C36 H51 Co N3 -","- C144 H204 Co4 N12 -","4","0.25","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0696","0.0569","","","0.112","0.1162","","","","","","1.22","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348549","23.209","0.005","33.798","0.005","14.531","0.005","90","","90","","90","","11398","5","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C50 H72.5 Cl3 N7.5 O53 S6 V15 -","- C36 H12 Cl3 O51 S6 V15 -","- C144 H48 Cl12 O204 S24 V60 -","4","0.25","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.0525","0.0394","","","0.1153","0.1229","","","","","","1.071","","","","has coordinates","233074","2020-10-21","18:00:00",""
"4349511","8.9215","0.0007","16.9118","0.001","22.3716","0.0015","90","","90","","90","","3375.4","0.4","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H15 I9 N6 Sb2 -","- C9 H15 I9 N6 Sb2 -","- C36 H60 I36 N24 Sb8 -","4","0.25","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1354","0.0647","","","0.1809","0.2327","","","","","","1.048","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349512","8.9409","0.0014","16.749","0.002","22.494","0.003","90","","90","","90","","3368.5","0.8","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H15 Bi2 I9 N6 -","- C9 H15 Bi2 I9 N6 -","- C36 H60 Bi8 I36 N24 -","4","0.25","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1937","0.047","","","0.0928","0.1128","","","","","","0.848","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349601","22.7375","0.0009","17.1603","0.0006","19.7854","0.0005","90","","90","","90","","7719.9","0.5","100","","100","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H19 Cs19 Hg7 N4 Se19 -","- C4 H18.9992 Cs19 Hg7 N4 Se19 -","- C16 H75.9968 Cs76 Hg28 N16 Se76 -","4","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0648","0.0418","","","0.0961","0.1023","","","","","","0.901","","","","has coordinates,has disorder","234910","2020-10-21","18:00:00",""
"4349651","15.265","0.003","16.886","0.003","12.48","0.003","90","","90","","90","","3216.9","1.2","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","AEMOF-7","","","- C16 H29 Mg2 N3 O20 -","- C16 H9 Mg2 N3 O20 -","- C64 H36 Mg8 N12 O80 -","4","0.25","","Papazoi, Eleutheria; Douvali, Antigoni; Rapti, Sofia; Skliri, Euaggelia; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Wang, Xin; Huang, Zhen-Feng; Kaziannis, Spyridon; Kosmidis, Constantine; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","A microporous Mg2+ MOF with cation exchange properties in a single-crystal-to-single-crystal fashion","Inorganic Chemistry Frontiers","2017","4","3","530","","10.1039/C6QI00548A","","","0.71073","MoKα","","0.0737","0.0596","","","0.1948","0.203","","","","","","0.989","","","","has coordinates,has disorder","234948","2020-10-21","18:00:00",""
"4349761","15.8764","0.0005","19.4336","0.0005","22.97","0.0006","90","","90","","90","","7087.1","0.3","180","2","180","2","","","","","","","","10","C m c m","-C 2c 2","63","","","","- C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb -","- C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb -","- C220 H44 Cl8 Co4 D72 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","","0.71073","MoKα","","0.0411","0.0347","","","0.0997","0.1057","","","","","","1.112","","","","has coordinates,has disorder","235804","2020-10-21","18:00:00",""
"4349991","27.5369","0.0009","24.6251","0.0005","20.1958","0.0011","90","","90","","90","","13694.8","0.9","100.01","0.1","100.01","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C28 H21 N9 O8 Zn2 -","- C28 H21 N9 O8 Zn2 -","- C224 H168 N72 O64 Zn16 -","8","0.5","","Li, Meiling; Ren, Guojian; Wang, Fuxiang; Li, Zhimeng; Yang, Weiting; Gu, Dongxu; Wang, Yinghui; Zhu, Guangshan; Pan, Qinhe","Two metal‒organic zeolites for highly sensitive and selective sensing of Tb3+","Inorganic Chemistry Frontiers","2019","6","5","1129","","10.1039/C8QI01406J","","","1.54184","CuKα","","0.0924","0.0723","","","0.265","0.2949","","","","","","1.1","","","","has coordinates","237007","2020-10-21","18:00:00",""
"4350104","16.1096","0.001","11.7548","0.0006","12.7052","0.0009","90","","90","","90","","2405.9","0.3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C12 H20 Ca Li2 N12 O18 -","- C12 H20 Ca Li2 N12 O18 -","- C48 H80 Ca4 Li8 N48 O72 -","4","0.25","","Meng, Xianghe; Liang, Fei; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Zeng, Tixian; Kang, Bin; Lin, Zheshuai; Xia, Mingjun","LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates","Inorganic Chemistry Frontiers","2019","6","10","2850","","10.1039/C9QI01047E","","","0.71073","MoKα","","0.0431","0.0355","","","0.1013","0.1068","","","","","","1.046","","","","has coordinates","238002","2020-10-21","18:00:00",""
"4350118","14.8952","0.0014","9.7133","0.0009","13.6878","0.0012","90","","90","","90","","1980.4","0.3","295","2","295","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C4 H23 Co4 F N4 O17 P4 -","- C4 H23 Co4 F N4 O17 P4 -","- C16 H92 Co16 F4 N16 O68 P16 -","4","0.25","","Chang, Wei-Kuo; Wur, Ching-Shuei; Wang, Sue-Lein; Chiang, Ray-Kuang","Hydrothermal synthesis and characterization of two cobalt phosphates based on double-four-ring units with fluorine-occlusion and phosphite-substitution modifications.","Inorganic chemistry","2006","45","17","6622","6627","10.1021/ic051634f","","","0.71073","MoKα","","0.0229","0.0226","","","0.0626","0.0628","","","","","","1.186","","","","has coordinates","239748","2020-10-21","18:00:00",""
"4350742","7.537","0.006","19.877","0.016","6.662","0.005","90","","90","","90","","998.1","1.4","333","2","333","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.25","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0571","0.0599","","","","","","1.078","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350817","3.8854","0.0003","14.0556","0.0009","3.73791","0.00017","90","","90","","90","","204.13","0.02","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H0.36 Mo O3 -","- H0.36 Mo O3 -","- H1.44 Mo4 O12 -","4","0.25","","Keilholz, Simon; Kohlmann, Holger; Uhlenhut, Henning; Gabke, Andrea; García-Schollenbruch, Marleny","In Situ X-ray Diffraction Studies on the Production Process of Molybdenum","Inorganic Chemistry","2022","61","26","10126","10132","10.1021/acs.inorgchem.2c01226","powder diffraction","","1.54184","CuKα","","","","","","","","","0.00624","2.69","","","","","","","has coordinates","278774","2022-10-25","12:20:53",""
"4500865","7.7757","0.0001","25.7669","0.0004","9.9187","0.0002","90","","90","","90","","1987.27","0.06","293","2","293","2","","","","","","","synthesis as described","5","C m c m","-C 2c 2","63","rp231","","","- C12 Co N10 O4 W -","- C12 Co N10 O4 W -","- C48 Co4 N40 O16 W4 -","4","0.25","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","","x-ray","0.71073","MoKα","","0.0591","0.0382","","","0.0763","0.0836","","","","","","1.111","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500866","8.0583","0.0005","26.3886","0.0015","9.1939","0.0005","90","","90","","90","","1955.1","0.2","353","2","353","2","","","","","","","synthesis as described","4","C m c m","-C 2c 2","63","rp231_353","","","- C24 Co2 N20 W2 -","- C24 Co2 N20 W2 -","- C48 Co4 N40 W4 -","2","0.125","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","","x-ray","0.71073","MoKα","","0.0532","0.0466","","","0.1169","0.1205","","","","","","1.106","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500867","7.922","0.0005","26.552","0.0014","9.2897","0.0004","90","","90","","90","","1954.04","0.18","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C12 Co N10 W -","- C12 Co N10 W -","- C48 Co4 N40 W4 -","4","0.25","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501563","23.076","0.006","21.216","0.006","23.34","0.007","90","","90","","90","","11427","6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C86 H102 Cl10 Hg5 N10 O2 -","- C86 H98 Cl10 Hg5 N10 O2 -","- C344 H392 Cl40 Hg20 N40 O8 -","4","0.25","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1064","0.0555","","","0.1519","0.1852","","","","","","1.035","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4502580","27.9319","0.0006","14.3167","0.0009","21.4476","0.0006","90","","90","","90","","8576.7","0.6","123","2","123","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C66 H72 Cd4 Cl2 N11 O24.5 -","- C66 H59 Cd4 Cl2 N11 O24.5 -","- C264 H236 Cd16 Cl8 N44 O98 -","4","0.25","","Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang","Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions","Crystal Growth & Design","2010","10","4","1742","","10.1021/cg901403b","","","1.54178","CuKα","","0.0882","0.0578","","","0.1638","0.1792","","","","","","0.951","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4503755","13.8957","0.0011","15.0403","0.0011","18.9997","0.0014","90","","90","","90","","3970.9","0.5","291","2","291","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H16 Cl4 Mn O8 -","- C12 H16 Cl4 Mn O8 -","- C96 H128 Cl32 Mn8 O64 -","8","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Chen, Qun; He, Ming-Yang; Cui, Ai-Jun; Li, Chao; Liu, Qi; Du, Miao","Solvent-Controlled Assembly of Manganese(II) Tetrachloroterephthalates with 1D Chain, 2D Layer, and 3D Coordination Architectures","Crystal Growth & Design","2008","8","9","3437","","10.1021/cg8003905","","","0.71073","MoKα","","0.0663","0.0461","","","0.0849","0.0887","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507104","7.119","0.0008","14.1051","0.0016","17.698","0.002","90","","90","","90","","1777.1","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H4 O15 P2 Sr U2 -","- C6 H4 O15 P2 Sr U2 -","- C24 H16 O60 P8 Sr4 U8 -","4","0.25","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0404","0.0335","","","0.0899","0.0926","","","","","","1.121","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507561","9.0696","0.0012","10.2211","0.0016","9.1028","0.0012","90","","90","","90","","843.8","0.2","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.42 Ru1.58 Yb -","- Al10 Mn0.418 Ru1.582 Yb -","- Al40 Mn1.672 Ru6.328 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0423","0.0303","","","0.0469","0.0496","","","","","","1.11","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507562","9.071","0.002","10.225","0.003","9.102","0.002","90","","90","","90","","844.2","0.4","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.44 Ru1.56 Yb -","- Al10 Mn0.442 Ru1.558 Yb -","- Al40 Mn1.768 Ru6.232 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0486","0.0512","","","","","","1.131","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507563","8.9852","0.001","10.204","0.0012","9.0288","0.001","90","","90","","90","","827.81","0.16","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Fe1.18 Mn0.82 Yb -","- Al10 Fe1.18 Mn0.82 Yb -","- Al40 Fe4.72 Mn3.28 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0277","0.0255","","","0.0632","0.064","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507875","25.2913","0.0014","33.509","0.0016","18.681","0.0013","90","","90","","90","","15831.9","1.6","291","2","291","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C63 H39 Cu6 N3 O30 -","- C63 H39 Cu6 N3 O30 -","- C252 H156 Cu24 N12 O120 -","4","0.25","","Lu, Zhiyong; Du, Liting; Tang, Kuanzhen; Bai, Junfeng","High H2and CH4Adsorption Capacity of a Highly Porous (2,3,4)-Connected Metal‒Organic Framework","Crystal Growth & Design","2013","13","6","2252","","10.1021/cg400449c","","","0.71073","MoKα","","0.0609","0.0485","","","0.119","0.1205","","","","","","1.008","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4508118","10.226","0.002","20.706","0.004","7.5525","0.0015","90","","90","","90","","1599.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C17 H11 Cd N3 O4 -","- C17 H7 Cd N3 O4 -","- C68 H28 Cd4 N12 O16 -","4","0.25","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.059","0.0447","","","0.0968","0.1011","","","","","","1.067","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508132","4.608","0.0003","17.0454","0.0008","7.5462","0.0004","90","","90","","90","","592.72","0.06","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au Eu In4 -","- Au Eu In4 -","- Au4 Eu4 In16 -","4","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0286","0.025","","","0.0733","0.0936","","","","","","0.776","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508631","25.2674","0.0001","11.5413","0.0002","26.7159","0.0001","90","","90","","90","","7790.85","0.14","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C68 H84 Cd4 N9 Na O33 -","- C68 H32 Cd4 N9 Na O33 -","- C272 H128 Cd16 N36 Na4 O132 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0625","0.0491","","","0.1258","0.1349","","","","","","1.159","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508632","25.126","0.005","11.532","0.002","26.628","0.005","90","","90","","90","","7716","2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C70 H88 Cd4 I N8 Na O30 -","- C70 H32 Cd4 I N8 Na O30 -","- C280 H128 Cd16 I4 N32 Na4 O120 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0669","0.0487","","","0.1436","0.151","","","","","","1.001","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508633","25.1011","0.0001","11.475","0.0001","26.559","0.0005","90","","90","","90","","7649.92","0.16","173","2","173","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C68 H84 Br Cd4 N8 Na O30 -","- C68 H48 Br Cd4 N8 Na O30 -","- C272 H192 Br4 Cd16 N32 Na4 O120 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0786","0.0475","","","0.1124","0.1304","","","","","","1.052","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508937","14.2449","0.0013","16.6049","0.0015","6.3738","0.0006","90","","90","","90","","1507.6","0.2","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6 Br4 Hg2 N4 -","- C8 H6 Br4 Hg2 N4 -","- C32 H24 Br16 Hg8 N16 -","4","0.25","","Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh","Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions","Crystal Growth & Design","2009","9","1","258","","10.1021/cg8004163","","","0.71073","MoKα","","0.0252","0.0208","","","0.0497","0.0507","","","","","","1.154","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508939","14.502","0.0009","17.0743","0.0009","6.7451","0.0004","90","","90","","90","","1670.16","0.17","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6 Hg2 I4 N4 -","- C8 H6 Hg2 I4 N4 -","- C32 H24 Hg8 I16 N16 -","4","0.25","","Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh","Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions","Crystal Growth & Design","2009","9","1","258","","10.1021/cg8004163","","","0.71073","MoKα","","0.0233","0.0223","","","0.0588","0.0592","","","","","","1.195","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509747","30.764","0.006","16.095","0.003","10.559","0.002","90","","90","","90","","5228.3","1.7","223","2","223","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H15 Cu2 I2 N3 S3 -","- C15 H15 Cu2 I2 N3 S3 -","- C120 H120 Cu16 I16 N24 S24 -","8","0.5","","Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping","Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains","Crystal Growth & Design","2009","9","11","4963","","10.1021/cg9007608","","","0.71073","MoKα","","0.1044","0.0971","","","0.3097","0.3192","","","","","","1.19","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4513061","8.89432","0.00075","12.1851","0.0017","7.28369","0.00091","90","","90","","90","","789.39","0.16","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","catena-(bis(4-pyrazolato)methane)-cu(ii)","","- C7 H6 Cu N4 -","- C7 H6 Cu N4 -","- C28 H24 Cu4 N16 -","4","0.25","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","204123","2020-10-21","18:00:00",""
"4513495","10.3201","0.0002","7.4194","0.0001","15.0123","0.0003","90","","90","","90","","1149.48","0.04","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C2 H16 F6 Fe N O4 Zn -","- C2 H16 F6 Fe N O4 Zn -","- C8 H64 F24 Fe4 N4 O16 Zn4 -","4","0.25","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0219","0.0185","","","0.054","0.0557","","","","","","1.275","","","","has coordinates","154578","2020-10-21","18:00:00",""
"4513601","12.9839","0.0019","10.3156","0.0015","8.2093","0.001","90","","90","","90","","1099.5","0.3","210","2","210","2","","","","","","","","4","C m c m","-C 2c 2","63","Pyrrolidine hexahydrate - HT phase at 210K","Pyrrolidine hexahydrate - high temperature phase at 210K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C16 H84 N4 O24 -","4","0.25","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0574","0.0545","","","0.14","0.1462","","","","","","1.124","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513602","13.044","0.002","10.3955","0.0016","8.225","0.0011","90","","90","","90","","1115.3","0.3","269","2","269","2","","","","","","","","4","C m c m","-C 2c 2","63","Pyrrolidine hexahydrate - HT phase at 269K","Pyrrolidine hexahydrate - high temperature phase at 269K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C16 H84 N4 O24 -","4","0.25","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.066","0.0645","","","0.1613","0.1636","","","","","","1.161","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4514265","26.2639","0.0005","33.4313","0.0006","18.7507","0.0003","90","","90","","90","","16463.8","0.5","103","2","103","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C66 H30 Cu6 N0 O36 S3 -","- C66 H30 Cu6 O36 S3 -","- C264 H120 Cu24 O144 S12 -","4","0.25","","Wang, Fei; Kusaka, Shinpei; Hijikata, Yuh; Hosono, Nobuhiko; Kitagawa, Susumu","Development of a Porous Coordination Polymer with a High Gas Capacity Using a Thiophene-Based Bent Tetracarboxylate Ligand.","ACS applied materials & interfaces","2017","9","39","33455","33460","10.1021/acsami.7b01568","","","0.71073","MoKα","","0.0565","0.0484","","","0.1573","0.1676","","","","","","1.016","","","","has coordinates","202557","2020-10-21","18:00:00",""
"4517558","7.3444","0.0009","6.8828","0.0009","7.2247","0.0008","90","","90","","90","","365.21","0.08","593","","593","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0871","0.0835","","0.0879","0.0878","","","","4.49","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517559","7.3575","0.0013","6.7932","0.0015","7.2231","0.0012","90","","90","","90","","361.02","0.12","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.111","0.1094","","0.1015","0.1013","","","","4.7","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517761","6.37122","0.00008","20.5603","0.0003","19.6642","0.0003","90","","90","","90","","2575.9","0.06","327","","327","","","","","","","","","3","C m c m","-C 2c 2","63","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","6.029","3.447","","","","","","","has coordinates","253095","2020-10-21","18:00:00",""
"4517762","6.4084","0.00005","20.76974","0.00018","19.9888","0.00017","90","","90","","90","","2660.53","0.04","568","","568","","","","","","","","","3","C m c m","-C 2c 2","63","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","7.6317","3.73","","","","","","","has coordinates","253096","2020-10-21","18:00:00",""
"5910203","5.505","","8.383","","6.219","","90","","90","","90","","286.997","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr O4 Zn -","- Cr16 O64 Zn16 -","- Cr16 O64 Zn16 -","","","","Wyckoff, R. W. G.","Page 37 & 38 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","37","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910215","5.426","","8.925","","5.878","","90","","90","","90","","284.654","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr Cu O4 -","- Cr16 Cu16 O128 -","- Cr16 Cu16 O128 -","","","","Wyckoff, R. W. G.","Page 37 & 38 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","37","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910217","3.086","","17.35","","3.047","","90","","90","","90","","163.143","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C B Mo2 -","- C16 B16 Mo32 -","- C16 B16 Mo32 -","","","","Wyckoff, R. W. G.","Page 64 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910273","5.568","","8.208","","5.977","","90","","90","","90","","273.162","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr O4 V -","- Cr16 O64 V16 -","- Cr16 O64 V16 -","","","","Wyckoff, R. W. G.","Page 37 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","37","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000027","11.726","0.0007","8.3745","0.0004","5.7062","0.0003","90","","90","","90","","560.35","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B2 Ga2 O7 Sr -","- B2 Ga2 O7 Sr -","- B8 Ga8 O28 Sr4 -","4","0.25","","Park, H.; Barbier, J.","Crystal structures of new gallo-borates MGa2B2O7, m = Sr, Ba","Journal of Solid State Chemistry","2000","154","","598","602","10.1006/jssc.2000.8901","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000028","11.7434","0.0006","8.7076","0.0004","5.8038","0.0003","90","","90","","90","","593.48","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B2 Ba Ga2 O7 -","- B2 Ba Ga2 O7 -","- B8 Ba4 Ga8 O28 -","4","0.25","","Park, H.; Barbier, J.","Crystal structures of new gallo-borates MGa2B2O7, m = Sr, Ba","Journal of Solid State Chemistry","2000","154","","598","602","10.1006/jssc.2000.8901","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000132","4.444","0.001","15.514","0.006","11.261","0.007","90","","90","","90","","776.38","","","","","","","","","","","","","4","C m c m","","","","","","- Cs Hg Sb Se3 -","- Cs Hg Sb2 Se3 -","- Cs4 Hg4 Sb8 Se12 -","4","0.25","","Chen, Z.; Wang, R.-J.","Crystal structures and semiconductor properties of alkline metal selenides MHgSbSe~3~ (M = K, Rb, Cs)","Acta Chimica Sinica","2000","58","3","326","331","","","","","","","0.0605","","","0.1234","","","","","","","","","","","","has coordinates","188714","2020-10-21","18:00:00",""
"6000154","17.978","","13.561","","7.163","","90","","90","","90","","1746.34","","","","","","","","","","","","","4","C m c m","","","","","","- H10 O19 U3 V2 -","","","","","","Saadi, M.; Dion, C.; Abraham, F.","Synthesis and crystal structure of the pentahydrated uranyl orthovanadate (UO2)(3)(VO4)(2) 5H(2)O, precursor for the new (UO2)(3)(VO4)(2) uranyl-vanadate","Journal of Solid State Chemistry","2000","150","","72","80","10.1006/jssc.1999.8549","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000216","13.663","","12.05","","7.6337","","90","","90","","90","","1256.81","","","","","","","","","","","","","4","C m c m","","","","","","- H6 K2 Mo3 O13 -","","","","","","Lasocha, W.; Jansen, J.; Schenk, H.","crystal-structure of fibrillar potassium trimolybdate K2Mo2O10.3H(2)O by direct method powder diffraction package","Journal of Solid State Chemistry","1995","115","","225","228","10.1006/jssc.1995.1124","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000258","5.6723","","10.1722","","14.1575","","90","","90","","90","","816.88","","","","","","","","","","","","","4","C m c m","","","","","","- Ba3 Cu O9 Ru2 -","","","","","","Rijssenbeek, J. T.; Huang, Q.; Erwin, R. W.; Zandbergen, H. W.; Cava, R. J.","The crystal structure of Ba3CuRu2O9 and comparison to Ba3MRu2O9 (M = In, Co, Ni, and Fe)","Journal of Solid State Chemistry","1999","146","","65","72","10.1006/jssc.1999.8309","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000431","9.455","","7.753","","5.791","","90","","90","","90","","424.51","","","","","","","","","","","","","2","C m c m","","","","","","- Al La -","","","","","","Leineweber, A.; Jacobs, H.","Preparation of single crystals of LaAl and X-ray structure determination","Journal of Alloys and Compounds","1998","278","1-2","L10","L12","10.1016/S0925-8388(98)00636-7","","","","","","","","","","","","","","","","","","","","","","174712","2020-10-21","18:00:00",""
"6000546","6.8341","","11.6584","","11.5","","90","","90","","90","","916.26","","","","100","","","","","","","","","3","C m c m","","","","","","- C10 H16 O -","","","","","","Mora, A. J.; Fitch, A. N.","The low-temperature crystal structure of RS-camphor","Journal of Solid State Chemistry","1997","134","","211","214","10.1006/jssc.1997.7648","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000591","5.88","","12.945","","5.677","","90","","90","","90","","432.11","","","","","","","","","","","","","4","C m c m","","","","","","- Ba Bi Cl O2 -","","","","","","Kennard, M. A.; Darriet, J.; Grannec, J.; Tressaud, A.","Cation ordering in the sillen X(1)-type oxychloride, BaBiO2Cl","Journal of Solid State Chemistry","1995","117","","201","205","10.1006/jssc.1995.1263","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000632","3.6913","","9.971","","11.0173","","90","","90","","90","","405.5","","","","294","","","","","","","","","3","C m c m","","","","","","- Mg O5 V2 -","","","","","","Millet, P.; Satto, C.; Sciau, P.; Galy, J.","MgV2O5 and delta LixV2O5: a comparative structural investigation","Journal of Solid State Chemistry","1998","136","","56","62","10.1006/jssc.1997.7654","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000633","3.6047","","9.9157","","11.2479","","90","","90","","90","","402.04","","","","294","","","","","","","","","3","C m c m","","","","","","- Li O5 V2 -","","","","","","Millet, P.; Satto, C.; Sciau, P.; Galy, J.","MgV2O5 and delta LixV2O5: a comparative structural investigation","Journal of Solid State Chemistry","1998","136","","56","62","10.1006/jssc.1997.7654","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000634","3.6928","","9.9576","","11.0096","","90","","90","","90","","404.84","","","","83","","","","","","","","","3","C m c m","","","","","","- Mg O5 V2 -","","","","","","Millet, P.; Satto, C.; Sciau, P.; Galy, J.","MgV2O5 and delta LixV2O5: a comparative structural investigation","Journal of Solid State Chemistry","1998","136","","56","62","10.1006/jssc.1997.7654","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000635","3.6031","","9.8734","","11.235","","90","","90","","90","","399.68","","","","83","","","","","","","","","3","C m c m","","","","","","- Li O5 V2 -","","","","","","Millet, P.; Satto, C.; Sciau, P.; Galy, J.","MgV2O5 and delta LixV2O5: a comparative structural investigation","Journal of Solid State Chemistry","1998","136","","56","62","10.1006/jssc.1997.7654","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000649","4.576","","15.133","","11.679","","90","","90","","90","","808.75","","","","","","","","","","","","","3","C m c m","","","","","","- I3 K Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000758","6.062","","5.068","","4.846","","90","","90","","90","","148.88","","","","","","","","38000000","","","","","2","C m c m","","","","","","- Cu I -","","","","","","Ivdenko, V. A.; Blank, V. D.; Serebryanaya, N. R.","Phase transformations in CuI under high pressure and shear deformation conditions","Materials Science Forum","2000","","","878","882","10.4028/www.scientific.net/MSF.321-324.878","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"7000025","44.912","0.053","12.707","0.014","17.266","0.019","90","","90","","90","","9854","19","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","(Cu2((20)Py2N4)(CH3CN)4).(Ni((20)Py2N4)).(SO4)2(CLO4)2.0.25H2O","","","- C68 H104 Cl8 Cu2 N22 Ni2 O33 -","- C68 H104 Cl8 Cu2 N22 Ni2 O33 -","- C272 H416 Cl32 Cu8 N88 Ni8 O132 -","4","0.25","","Li, Feng; Delgado, Rita; Costa, Judite; Drew, Michael G. B.; Felix, Vitor","Ditopic hexaazamacrocycles containing pyridine: synthesis, protonation and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","82","91","10.1039/b415718d","","","0.71073","MoKα","","0.2008","0.1258","","","0.3246","0.3624","","","","","","1.141","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7003212","25.516","0.002","12.8382","0.0011","11.8824","0.001","90","","90","","90","","3892.4","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C28 H62 Cs O P3 Si2 -","- C28 H62 Cs O P3 Si2 -","- C112 H248 Cs4 O4 P12 Si8 -","4","0.25","","Lerner, Hans-Wolfram; Sänger, Inge; Schödel, Frauke; Lorbach, Andreas; Bolte, Michael; Wagner, Matthias","Isoelectronic caesium compounds: the triphosphenide Cs[tBu3SiPPPSitBu3] and the enolate Cs[OCHCH2]","Dalton Transactions","2008","","6","787","792","10.1039/b714339g","","","0.71073","MoKα","","0.0974","0.0941","","","0.2203","0.2228","","","","","","1.074","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7011825","9.7782","0.0009","17.3","0.002","7.5504","0.0007","90","","90","","90","","1277.2","0.2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C1.5 H3.5 Br0.5 Cd0.25 N0.5 O S0.25 -","- C1.5 H3.5 Br0.5 Cd0.25 N0.5 O S0.25 -","- C24 H56 Br8 Cd4 N8 O16 S4 -","16","1","","Paul, Geo; Choudhury, Amitava; Rao, C. N. R.","Organically templated linear and layered cadmium sulfatesElectronic supplementary information (ESI) available: powder diffraction data for IV, view of I down the a-axis, the structure of II in the ac-plane and a polyhedral view of IV in the ab-plane. See http://www.rsc.org/suppdata/dt/b2/b204482j/","Journal of the Chemical Society, Dalton Transactions","2002","","20","3859","","10.1039/b204482j","","","0.71073","MoKα","","0.0244","0.0233","","0.06","0.0588","","","","1.089","1.096","1.096","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011826","9.7138","0.001","16.922","0.002","7.3872","0.0008","90","","90","","90","","1214.3","0.2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C1.5 H3.5 Cd0.25 Cl0.5 N0.5 O S0.25 -","- C1.5 H3.5 Cd0.25 Cl0.5 N0.5 O S0.25 -","- C24 H56 Cd4 Cl8 N8 O16 S4 -","16","1","","Paul, Geo; Choudhury, Amitava; Rao, C. N. R.","Organically templated linear and layered cadmium sulfatesElectronic supplementary information (ESI) available: powder diffraction data for IV, view of I down the a-axis, the structure of II in the ac-plane and a polyhedral view of IV in the ab-plane. See http://www.rsc.org/suppdata/dt/b2/b204482j/","Journal of the Chemical Society, Dalton Transactions","2002","","20","3859","","10.1039/b204482j","","","0.71073","MoKα","","0.026","0.0249","","0.0663","0.0657","","","","1.171","1.203","1.203","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013811","33.081","0.002","18.5854","0.0013","13.9571","0.001","90","","90","","90","","8581.2","1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Ge25.5 O53 -","- F3.039 Ge25.612 O53.38 -","- F12.156 Ge102.448 O213.52 -","4","0.25","","Villaescusa, Luis A.; Wheatley, Paul S.; Morris, Russell E.; Lightfoot, Philip","A severely interrupted germanate zeolite framework synthesised from isolated double four-ring units.","Dalton transactions (Cambridge, England : 2003)","2004","","5","820","824","10.1039/b314942k","","","0.6899","synchrotron","","0.112","0.1031","","","0.2693","0.2744","","","","","","1.303","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7015893","15.2447","0.0003","12.1409","0.0002","16.4111","0.0003","90","","90","","90","","3037.44","0.1","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C30 H30 Cu I2 N6 -","- C30 H32 Cu I2 N6 -","- C120 H128 Cu4 I8 N24 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.051","0.0398","","","0.1426","0.1447","","","","","","1.319","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7019304","7.3962","0.0002","20.1718","0.0004","17.1472","0.0003","90","","90","","90","","2558.27","0.1","200","2","200","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C22 H40 Na2 O2 Si2 -","- C22 H40 Na2 O2 Si2 -","- C88 H160 Na8 O8 Si8 -","4","0.25","","Jeletic, Matthew; Perras, Frédéric A; Gorelsky, Serge I.; Le Roy, Jennifer J.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","First structural evidence for multiple alkali metals between sandwich decks in a metallocene.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8060","8066","10.1039/c2dt30164d","","","0.71073","MoKα","","0.0498","0.0399","","","0.111","0.1192","","","","","","1.043","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019777","30.162","0.005","17.875","0.003","20.715","0.003","90","","90","","90","","11168","3","193","2","193","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C16 H91 Cu F4 Mo12 N8 O78 P4 -","- C16 H26 Cu F4 Mo12 N8 O46 P4 -","- C64 H104 Cu4 F16 Mo48 N32 O184 P16 -","4","0.25","","Fielden, John; Quasdorf, Kyle; Cronin, Leroy; Kögerler, Paul","A fluorophosphate-based inverse Keggin structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9876","9878","10.1039/c2dt30501a","","","0.71073","MoKα","","0.0866","0.0671","","","0.1979","0.2098","","","","","","1.061","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7020503","14.8737","0.0006","9.6815","0.0004","13.6354","0.0007","90","","90","","90","","1963.49","0.15","120","2","120","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C4 H19.04 Co4 F N4 O17 P4 -","- C4 H19.04 Co4 F3 N4 O15 P4 -","- C16 H76.16 Co16 F12 N16 O60 P16 -","4","0.25","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0661","0.0472","","","0.1064","0.1172","","","","","","1.179","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7023389","18.4946","0.0013","7.3745","0.0005","30.442","0.002","90","","90","","90","","4151.9","0.5","203","2","203","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C38 H40 Au2 F12 N8 P2 -","- C38 H40 Au2 F12 N8 P2 -","- C152 H160 Au8 F48 N32 P8 -","4","0.25","","Tubaro, Cristina; Baron, Marco; Costante, Michele; Basato, Marino; Biffis, Andrea; Gennaro, Armando; Isse, Abdirisak Ahmed; Graiff, Claudia; Accorsi, Gianluca","Dinuclear gold(I) complexes with propylene bridged N-heterocyclic dicarbene ligands: synthesis, structures, and trends in reactivities and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10952","10963","10.1039/c3dt51260f","","","0.71073","MoKα","","0.0638","0.0481","","","0.0913","0.0956","","","","","","1.244","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023701","10.4065","0.0004","7.4143","0.0003","15.1516","0.0005","90","","90","","90","","1169.05","0.08","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C2 H16 F6 Fe2 N O4 -","- C2 H16 F6 Fe2 N O4 -","- C8 H64 F24 Fe8 N4 O16 -","4","0.25","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0428","0.0277","","","0.1123","0.1465","","","","","","1.447","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023702","10.4281","0.0005","7.4326","0.0004","15.3291","0.0008","90","","90","","90","","1188.13","0.11","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H32 F12 Fe4 N2 O9 -","- C4 H32 F12 Fe4 N2 O9 -","- C8 H64 F24 Fe8 N4 O18 -","2","0.125","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0529","0.0433","","","0.1256","0.1329","","","","","","1.29","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024776","21.643","0.006","31.87","0.006","33.861","0.007","90","","90","","90","","23356","9","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- H274 Na18 Ni6 O284 P6 W39 -","- Na16 Ni6 O194.5 P6 W39 -","- Na64 Ni24 O778 P24 W156 -","4","0.25","","Yao, Shuang; Zhang, Zhiming; Li, Yangguang; Wang, Enbo","Two hexa-TM-containing (TM = Co2+ and Ni2+) {P2W12}-based trimeric tungstophosphates.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3884","3889","10.1039/b921261b","","","0.71073","MoKα","","0.1307","0.0619","","","0.1378","0.1758","","","","","","1.009","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024777","21.353","0.003","32.114","0.003","33.848","0.004","90","","90","","90","","23211","5","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- Co6 H272 Na18 O283 P6 W39 -","- Co6 Na17 O204 P6 W39 -","- Co24 Na68 O816 P24 W156 -","4","0.25","","Yao, Shuang; Zhang, Zhiming; Li, Yangguang; Wang, Enbo","Two hexa-TM-containing (TM = Co2+ and Ni2+) {P2W12}-based trimeric tungstophosphates.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3884","3889","10.1039/b921261b","","","0.71073","MoKα","","0.1202","0.0742","","","0.1677","0.1933","","","","","","1.048","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7025681","21.06","0.06","10.493","0.007","19.3928","0.0015","90","","90","","90","","4285","13","193","2","193","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C47 H72 N5 Sm -","- C47 H72 N5 Sm -","- C188 H288 N20 Sm4 -","4","0.25","","Gardiner, Michael G.; James, Adam N.; Jones, Cameron; Schulten, Christian","Sm(II) reduction chemistry of heteroalkynes: stable adducts, reductive coupling, reductive C-C/C-N bond cleavage and trapping of the tert-butyl fragment with bulky nitriles, phosphaalkynes and isonitriles.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6864","6870","10.1039/c002778b","","","0.71073","MoKα","","0.0901","0.0832","","","0.2106","0.2174","","","","","","1.076","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7026681","4.9209","0.0009","23.131","0.004","15.318","0.003","90","","90","","90","","1743.6","0.6","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba5 Cd2 F Sb5 -","- Ba5 Cd2 F Sb5 -","- Ba20 Cd8 F4 Sb20 -","4","0.25","","Saparov, Bayrammurad; Bobev, Svilen","Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11335","11343","10.1039/c0dt00595a","","","0.71073","MoKα","","0.0266","0.0222","","","0.0465","0.0478","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026682","4.9582","0.0005","23.346","0.002","15.2796","0.0014","90","","90","","90","","1768.7","0.3","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba5 Cd2 O0.59 Sb5 -","- Ba4.988 Cd2 O0.59 Sb5 -","- Ba19.952 Cd8 O2.36 Sb20 -","4","0.25","","Saparov, Bayrammurad; Bobev, Svilen","Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11335","11343","10.1039/c0dt00595a","","","0.71073","MoKα","","0.027","0.0227","","","0.0497","0.0515","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026683","4.9546","0.0007","23.281","0.003","15.279","0.002","90","","90","","90","","1762.4","0.4","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba5 Cd2 O0.62 Sb5 -","- Ba5.002 Cd2 O0.62 Sb5 -","- Ba20.008 Cd8 O2.48 Sb20 -","4","0.25","","Saparov, Bayrammurad; Bobev, Svilen","Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11335","11343","10.1039/c0dt00595a","","","0.71073","MoKα","","0.0248","0.0217","","","0.0484","0.0497","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026684","4.9631","0.0005","23.438","0.002","15.2683","0.0015","90","","90","","90","","1776.1","0.3","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba5 Cd2 O0.72 Sb5 -","- Ba5.006 Cd2 O0.72 Sb5 -","- Ba20.024 Cd8 O2.88 Sb20 -","4","0.25","","Saparov, Bayrammurad; Bobev, Svilen","Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11335","11343","10.1039/c0dt00595a","","","0.71073","MoKα","","0.034","0.0304","","","0.0707","0.0738","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026686","4.7092","0.0018","21.919","0.009","14.617","0.006","90","","90","","90","","1508.8","1","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd2 Eu5 F Sb5 -","- Cd2 Eu5 F Sb5 -","- Cd8 Eu20 F4 Sb20 -","4","0.25","","Saparov, Bayrammurad; Bobev, Svilen","Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11335","11343","10.1039/c0dt00595a","","","0.71073","MoKα","","0.026","0.0202","","","0.0366","0.0381","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026687","4.758","0.0019","22.145","0.009","14.727","0.006","90","","90","","90","","1551.7","1.1","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd2 F Sb5 Sr5 -","- Cd2 F Sb5 Sr5 -","- Cd8 F4 Sb20 Sr20 -","4","0.25","","Saparov, Bayrammurad; Bobev, Svilen","Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11335","11343","10.1039/c0dt00595a","","","0.71073","MoKα","","0.0217","0.0167","","","0.0347","0.0355","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027219","6.123","0.001","16.634","0.003","18.78","0.004","90","","90","","90","","1912.7","0.6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","sodium-cobalt propylene diphosphonate","NaCo2(O3PCH2CH2CH2PO3)(OH)","","- C3 H7 Co2 Na O7 P2 -","- C3 H7 Co2 Na O7 P2 -","- C24 H56 Co16 Na8 O56 P16 -","8","0.5","","Distler, Anne; Lohse, Douglas L.; Sevov, Slavi C.","Chains, planes, and tunnels of metal diphosphonates: synthesis, structure, and characterization of Na3Co(O3PCH2PO3)(OH), Na3Mg(O3PCH2PO3)F·H2O, Na2Co(O3PCH2PO3)·H2O, NaCo2(O3PCH2CH2CH2PO3)(OH), and Co2(O3PCH2PO3)(H2O)","Journal of the Chemical Society, Dalton Transactions","1999","","11","1805","","10.1039/a809671f","","","0.71073","MoKα","","0.1122","0.0608","","0.1467","0.1121","","","","1.097","1.083","1.083","","","","","has coordinates","179978","2020-10-21","18:00:00",""
"7027627","13.845","0.003","7.9","0.002","14.544","0.003","90","","90","","90","","1590.8","0.6","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","","pentakis(dimethylamido)tantalum(V)","","- C10 H30 N5 Ta -","- C10 H30 N5 Ta -","- C40 H120 N20 Ta4 -","4","0.25","","Batsanov, Andrei S.; Churakov, Andrei V.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Kingsley, Andrew J.; Neretin, Ivan S.; Wade, Ken","Transition metal dicarbollide complexes: synthesis, molecular, crystal and electronic structures of [M(C2B9H11)(NMe2)3] (M = Nb or Ta) and their insertion reactions with CO2 and CS2 †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3867","","10.1039/a905075b","","","0.71073","MoKα","","0.0269","0.0267","","","0.0656","0.0661","","","","","","1.217","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7029263","6.792","0.0003","10.7367","0.0004","19.9685","0.0008","90","","90","","90","","1456.18","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C14 H22 N2 Sn -","- C14 H22 N2 Sn -","- C56 H88 N8 Sn4 -","4","0.25","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0184","0.0176","","","0.0475","0.048","","","","","","1.186","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029844","7.19","0.1","21.79","0.1","13.62","0.1","90","","90","","90","","2134","3","","","","","","","","","","","","3","C m c m","-C 2c 2","63","COE-3","","","- C15.19 O76 Si37.59 -","- C15.52 O76 Si37.76 -","- C15.52 O76 Si37.76 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","","","0.0251","Electrons","","0.4496","0.3754","","","0.7646","0.7956","","","","","","4.147","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029845","7.29","0.1","23.02","0.1","14.02","0.1","90","","90","","90","","2353","4","","","","","","","","","","","","2","C m c m","-C 2c 2","63","COE-4","","","- O88.8 Si38.4 -","- O85.92 Si36.96 -","- O85.92 Si36.96 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","","","0.0251","Electrons","","0.4431","0.3878","","","0.775","0.8078","","","","","","4.673","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029846","7.40027","0.00035","23.4265","0.0017","14.00808","0.00066","90","","90","","90","","2428.5","0.2","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","COE-3","","?hkl_Phase?","- C19.12 O76 Si39.34 -","- C19.1288 O76 Si39.3384 -","- C19.1288 O76 Si39.3384 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","powder diffraction","","1.5406","","","","","","","","","","0.016","2.5","","","","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029847","7.39833","0.00053","23.2909","0.0023","13.99523","0.00078","90","","90","","90","","2411.6","0.3","298","","298","","","","","","","","","2","C m c m","-C 2c 2","63","COE-4","","","- O104.14 Si38.71 -","- O104.144 Si38.712 -","- O104.144 Si38.712 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","powder diffraction","","1.5406","","","","","","","","","","0.015","2","","","","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030809","7.369","0.001","22.559","0.003","13.993","0.002","90","","90","","90","","2326.2","0.6","298","","298","2","","","","","","","","5","C m c m","-C 2c 2","63","RUB-48","","","- C28 H76 N4 O76 Si36 -","- C31.936 N4 O76 Si36 -","- C31.936 N4 O76 Si36 -","1","0.0625","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","5.4923","1.13","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030891","4.5511","0.0002","22.0862","0.0007","13.2751","0.0004","90","","90","","90","","1334.37","0.08","123","2","123","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Germanide","","","- Ge Li4.096 -","- Ge Li4.096 -","- Ge16 Li65.536 -","16","1","","Fässler, Thomas F; Zeilinger, Michael","Structural and Thermodynamic Similarities of Phases in the Li‒Tt (Tt = Si, Ge) Systems: Redetermination of the Lithium-Rich Side of the Li‒Ge Phase Diagram and Crystal Structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge","Dalton Transactions","2014","","","","","10.1039/c4dt00743c","","","0.71073","MoKα","","0.0225","0.0145","","","0.0257","0.027","","","","","","1.042","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7031778","9.9021","0.0007","27.824","0.002","7.5624","0.0006","90","","90","","90","","2083.6","0.3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H24 Co N2 O10 -","- C18 H17 Co N2 O10 -","- C72 H68 Co4 N8 O40 -","4","0.25","","Chen, Chao; Zhang, Jun; Li, Guanghua; Shen, Pan; Jin, Haichao; Zhang, Ning","Two coordination polymers constructed from a multidentate carboxylic acid ligand with a tertiary amine serve as acid-base catalysts for the synthesis of chloropropene carbonate from CO2 under atmospheric pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13965","13971","10.1039/c4dt00908h","","","0.71073","MoKα","","0.0617","0.051","","","0.1533","0.1654","","","","","","1.072","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031779","9.9158","0.0002","27.7237","0.0005","7.4582","0.0001","90","","90","","90","","2050.28","0.06","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H24 N2 Ni O10 -","- C17.7 H17 N2 Ni O8 -","- C70.8 H68 N8 Ni4 O32 -","4","0.25","","Chen, Chao; Zhang, Jun; Li, Guanghua; Shen, Pan; Jin, Haichao; Zhang, Ning","Two coordination polymers constructed from a multidentate carboxylic acid ligand with a tertiary amine serve as acid-base catalysts for the synthesis of chloropropene carbonate from CO2 under atmospheric pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13965","13971","10.1039/c4dt00908h","","","0.71073","MoKα","","0.0476","0.0383","","","0.12","0.1422","","","","","","1.067","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7032181","4.5619","0.0008","17.059","0.002","7.3056","0.0012","90","","90","","90","","568.53","0.15","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","EuIrIn4","","","- Eu In4 Ir -","- Eu In4 Ir -","- Eu4 In16 Ir4 -","4","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","The crystal structure and magnetic properties of a Zintl phase EuIrIn4: the first member of the Eu-Ir-In family.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15879","15886","10.1039/c4dt01620c","","","0.71073","MoKα","","0.0453","0.0453","","","0.1193","0.1194","","","","","","1.164","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032663","9.8719","0.0015","7.9597","0.0012","34.729","0.005","90","","90","","90","","2728.9","0.7","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H12 Cl12 Mo4 O10 -","- C6 H12 Cl12 Mo4 O10 -","- C24 H48 Cl48 Mo16 O40 -","4","0.25","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Oxido-molybdenum complexes obtained by Cl/O interchange between MoCl5 and carboxylic acids: a crystallographic, spectroscopic and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16416","16423","10.1039/c4dt02201g","","","0.71073","MoKα","","0.0277","0.0275","","","0.0635","0.0635","","","","","","1.337","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032997","7.6474","0.0015","17.448","0.004","6.9242","0.0014","90","","90","","90","","923.9","0.3","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Br3 Cd N S -","- C3 H4 Br3 Cd N S -","- C12 H16 Br12 Cd4 N4 S4 -","4","0.25","","Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10614","10620","10.1039/c4dt02875a","","","0.71073","MoKα","","0.0405","0.0352","","","0.0778","0.0802","","","","","","1.037","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032998","7.528","0.003","17.448","0.01","6.884","0.005","90","","90","","90","","904.2","0.9","163","2","163","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Br3 Cd N S -","- C3 H4 Br3 Cd N S -","- C12 H16 Br12 Cd4 N4 S4 -","4","0.25","","Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10614","10620","10.1039/c4dt02875a","","","0.71073","MoKα","","0.0481","0.042","","","0.099","0.1026","","","","","","1.024","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033205","18.835","0.008","9.133","0.004","19.034","0.008","90","","90","","90","","3274","2","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","lanthanum iminodiacetato nitrate iminodiacetate","","- C12 H38 La2 N6 O31 -","- C12 H37 La2 N6 O31 -","- C48 H148 La8 N24 O124 -","4","0.25","","Polido Legaria, Elizabeth; Topel, Seda Demirel; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Molecular insights into the selective action of a magnetically removable complexone-grafted adsorbent.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1273","1282","10.1039/c4dt03096f","","","0.71073","MoKα","","0.0595","0.0321","","","0.0679","0.074","","","","","","1.032","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7034432","13.2499","0.0002","10.5536","0.0001","8.9126","0.0001","90","","90","","90","","1246.29","0.03","123","2","123","2","","","","","","","","5","C m c m","-C 2c 2","63","pentaammine dioxido uranium dibromide ammoniate","pentaammine dioxido uranium(VI) dibromide ammoniate (1/1)","","- Br2 H18 N6 O2 U -","- Br2 H12 N6 O2 U -","- Br8 H48 N24 O8 U4 -","4","0.25","","Woidy, Patrick; Bühl, Michael; Kraus, Florian","[UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7332","7337","10.1039/c5dt00180c","","","0.71073","MoKα","","0.0255","0.0227","","","0.0588","0.0595","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7036132","4.3304","0.0004","12.667","0.0013","10.574","0.0011","90","","90","","90","","580.02","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","Trimethyltin fluoride","","- C3 H9 F Sn -","- C3 H9 F Sn -","- C12 H36 F4 Sn4 -","4","0.25","","Chaudhary, Praveen; Bieringer, Mario; Hazendonk, Paul; Gerken, Michael","The structure of trimethyltin fluoride.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19651","19658","10.1039/c5dt01994j","","","0.71073","MoKα","","0.0206","0.0206","","","0.059","0.059","","","","","","1.322","","","","has coordinates","171164","2020-10-21","18:00:00",""
"7039206","12.899","0.003","17.022","0.005","17.781","0.005","90","","90","","90","","3904.1","1.8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C30 H31 Au2 F12 N9 P2 -","- C30 H28 Au2 F12 N9 P2 -","- C120 H112 Au8 F48 N36 P8 -","4","0.25","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0391","0.0304","","","0.0805","0.0845","","","","","","1.06","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7041491","3.7892","0.0003","12.4109","0.001","15.4894","0.0013","90","","90","","90","","728.43","0.1","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Gd0.25 In0.25 Mn0.5 S1.25 -","- Gd0.25 In0.26225 Mn0.48775 S1.25 -","- Gd4 In4.196 Mn7.804 S20 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0196","0.0166","","","0.0342","0.0351","","","","","","1.135","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041492","3.7898","0.0005","12.4623","0.0017","15.612","0.002","90","","90","","90","","737.35","0.17","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Gd0.375 In0.125 Mn0.5 S1.25 -","- Gd0.3675 In0.1215 Mn0.511 S1.25 -","- Gd5.88 In1.944 Mn8.176 S20 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0223","0.0206","","","0.0488","0.0494","","","","","","1.051","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041493","3.7778","0.0005","12.5047","0.0016","19.114","0.002","90","","90","","90","","902.95","0.19","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd0.5 Mn0.75 S1.5 -","- Gd0.49815 Mn0.75185 S1.5 -","- Gd7.9704 Mn12.0296 S24 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0174","0.0148","","","0.0313","0.0323","","","","","","1.09","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041494","3.7694","0.0006","12.4664","0.0018","22.288","0.003","90","","90","","90","","1047.3","0.3","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd0.5 Mn S1.75 -","- Gd0.4985 Mn1.0015 S1.75 -","- Gd7.976 Mn16.024 S28 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0171","0.0144","","","0.0291","0.0297","","","","","","1.015","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7042689","3.9859","0.0002","12.8627","0.0005","32.2904","0.0014","90","","90","","90","","1655.51","0.13","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- La7 O7 Se5 V -","- La7 O7 Se5 V -","- La28 O28 Se20 V4 -","4","0.25","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","","0.71073","MoKα","","0.0373","0.0321","","","0.074","0.0793","","","","","","1.132","","","","has coordinates","195403","2020-10-21","18:00:00",""
"7042702","9.2288","0.0003","21.6436","0.0006","5.79719","0.00018","90","","90","","90","","1157.96","0.06","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H4 N4 O3 Pb3 -","- C7 H4 N4 O3 Pb3 -","- C28 H16 N16 O12 Pb12 -","4","0.25","","Luo, Xuan; Zhang, Xiao; Duan, Yuanling; Wang, Xiaolin; Zhao, Jiaming","A novel luminescent Pb(II) - organic framework exhibiting rapid and selective detection of trace amount of NACs and Fe3+ with excellent recyclability","Dalton Trans.","2017","","","","","10.1039/C7DT00715A","","x-ray","0.71073","MoKα","","0.0275","0.0239","","","0.0578","0.06","","","","","","1.077","","","","has coordinates,has disorder","195406","2020-10-21","18:00:00",""
"7042857","8.7688","0.0012","9.1937","0.0014","7.948","0.0009","90","","90","","90","","640.75","0.15","170","2","170","2","","","","","","","","4","C m c m","-C 2c 2","63","","dimethyldichlorosilane","","- C2 H6 Cl2 Si -","- C2 H6 Cl2 Si -","- C8 H24 Cl8 Si4 -","4","0.25","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0297","0.0281","","","0.0674","0.0679","","","","","","1.251","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7043062","11.25","0.002","13.869","0.002","19.759","0.003","90","","90","","90","","3082.9","0.8","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C32 H36 N2 O5 W -","- C32 H36 N2 O5 W -","- C128 H144 N8 O20 W4 -","4","0.25","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.56086","AgKα","","0.0137","0.0128","","","0.0305","0.0308","","","","","","1.112","","","","has coordinates","196893","2020-10-21","18:00:00",""
"7045008","18.2544","0.0014","20.0328","0.0011","16.9685","0.0009","90","","90","","90","","6205.2","0.7","240","2","240.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C45 H84 Co Cr Fe O19 -","- C44.5 H81 Co0.9999 Cr0.9999 Fe0.9999 O19 -","- C178 H324 Co3.9996 Cr3.9996 Fe3.9996 O76 -","4","0.25","","Abdulwahab, Khadijat O.; Malik, Mohammad A.; O'Brien, Paul; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Tuna, Floriana; Winpenny, Richard E. P.","The synthesis of a monodisperse quaternary ferrite (FeCoCrO<sub>4</sub>) from the hot injection thermolysis of the single source precursor [CrCoFeO(O<sub>2</sub>C<sup>t</sup>Bu)<sub>6</sub>(HO<sub>2</sub>C<sup>t</sup>Bu)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","2","376","381","10.1039/c7dt03302h","","x-ray","0.71073","MoKα","","0.0928","0.0676","","","0.1943","0.2181","","","","","","1.054","","","","has coordinates,has disorder","229567","2020-10-21","18:00:00",""
"7045745","8.4272","0.0004","19.4683","0.0009","8.9136","0.0004","90","","90","","90","","1462.39","0.12","273","2","273","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H11 Cu F9 N -","- C11 H8 Cu F9 N -","- C44 H32 Cu4 F36 N4 -","4","0.25","","Zhang, Song-Lin; Xiao, Chang; Wan, Hai-Xing","Diverse copper(iii) trifluoromethyl complexes with mono-, bi- and tridentate ligands and their versatile reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4779","4784","10.1039/c8dt00291f","","","0.71073","MoKα","","0.0443","0.0405","","","0.1261","0.1316","","","","","","1.184","","","","has coordinates,has disorder","229775","2020-10-21","18:00:00",""
"7045958","6.5688","0.0008","31.711","0.003","18.1864","0.0015","90","","90","","90","","3788.3","0.7","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C30 Co3 N22 O5 -","- C30 Co3 N22 O5 -","- C120 Co12 N88 O20 -","4","0.25","","Gong, Chunhua; Guo, Haiyang; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Flexible and rigid dicarboxylic acids enable the assembly of achiral and chiral 3D Co(ii) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6917","6923","10.1039/c8dt00600h","","x-ray","1.54184","CuKα","","0.108","0.0845","","","0.2132","0.2304","","","","","","1.066","","","","has coordinates","229699","2020-10-21","18:00:00",""
"7046271","21.242","0.013","7.928","0.005","22.557","0.014","90","","90","","90","","3799","4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Cd-MDIP","Cd-MDIP","","- C17 H14 Cd O10 -","- C17 H14 Cd O10 -","- C136 H112 Cd8 O80 -","8","0.5","","Li, Yang; Chang, Ziling; Huang, Fangmin; Wu, Pengyan; Chu, Huacong; Wang, Jian","A bi-metallic MOF catalyst via sensitive detection & adsorption of Fe<sup>3+</sup> ions for size-selective reaction prompting.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9267","9273","10.1039/c8dt01145a","","","0.71073","MoKα","","0.0606","0.0477","","","0.1235","0.1293","","","","","","1.011","","","","has coordinates","229198","2020-10-21","18:00:00",""
"7046375","12.2579","0.0007","23.8635","0.0014","13.8297","0.0008","90","","90","","90","","4045.4","0.4","296","2","296.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C16 H48 Mo12 N4 Na5 O74 Sb5 -","- C16 H48 Mo12 N4 Na5 O74 Sb5 -","- C32 H96 Mo24 N8 Na10 O148 Sb10 -","2","0.125","","Lu, Jingkun; Wang, Yaping; Ma, Xinyi; Niu, Yanjun; Singh, Vikram; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis and characterization of a Sb(v)-containing polyoxomolybdate serving as a catalyst for sulfoxidation.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8070","8077","10.1039/c8dt01273c","","","0.71073","MoKα","","0.0596","0.0518","","","0.1359","0.1437","","","","","","1.105","","","","has coordinates,has disorder","229222","2020-10-21","18:00:00",""
"7046396","7.2068","0.0007","14.213","0.001","21.8914","0.0016","90","","90","","90","","2242.3","0.3","120","2","120","2","","","","","","","","6","C m c m","-C 2c 2","63","1-pink","MS001","","- C4 H8 Co0.25 N1.5 O0.5 S0.5 -","- C4 H8 Co0.25 N1.5 O0.5 S0.5 -","- C64 H128 Co4 N24 O8 S8 -","16","1","","Shiga, Misaki; Kawaguchi, Shogo; Fujibayashi, Masaru; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki; Noro, Shin-Ichiro; Nakamura, Takayoshi; Tsunashima, Ryo","Chemo-chromism in an orthogonal dabco-based Co(ii) network assembled by methanol-coordination and hydrogen bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7656","7662","10.1039/c8dt01220b","","","0.7107","MoKα","","0.0525","0.0482","","","0.1296","0.134","","","","","","1.084","","","","has coordinates","229889","2020-10-21","18:00:00",""
"7048476","11.2927","0.0017","17.827","0.003","6.4414","0.0008","90","","90","","90","","1296.8","0.3","90","0.2","90","0.2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Au Cl3 N2 -","- C12 H8 Au Cl3 N2 -","- C48 H32 Au4 Cl12 N8 -","4","0.25","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0424","0.0362","","","0.087","0.0899","","","","","","1.162","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048624","13.097","0.0006","6.6265","0.0003","6.8836","0.0003","90","","90","","90","","597.41","0.05","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H K2 N3 O3 -","- C3 H K2 N3 O3 -","- C12 H4 K8 N12 O12 -","4","0.25","","Wang, Naizheng; Liang, Fei; Yang, Yi; Zhang, Shengzi; Lin, Zheshuai","A new ultraviolet transparent hydra-cyanurate K<sub>2</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>H) with strong optical anisotropy from delocalized π-bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2271","2274","10.1039/c8dt05018j","","","0.71073","MoKα","","0.0266","0.0254","","","0.0649","0.0659","","","","","","1.214","","","","has coordinates","224305","2020-10-21","18:00:00",""
"7050665","10.5135","0.0003","8.3306","0.0003","19.6638","0.0007","90","","90","","90","","1722.23","0.1","120","2","120","2","","","","","","","","5","C m c m","-C 2c 2","63","1,4,7,10-tetrathiacyclododecane-tetrabromotin(IV)","1,4,7,10-tetrathiacyclododecane-tetrabromotin(IV)","","- C8 H16 Br4 S4 Sn -","- C8 H16 Br4 S4 Sn -","- C32 H64 Br16 S16 Sn4 -","4","0.25","","Levason, William; Matthews, Melissa L.; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural variations within a family of thioether macrocyclic complexes. Tin(iv) halide adducts of [12]-, [14]- and [16]-aneS4","New Journal of Chemistry","2003","27","12","1784","","10.1039/b307863a","","","0.71073","MoKα","","0.0447","0.0412","","","0.1046","0.1072","","","","","","1.062","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051102","14.969","0.004","7.986","0.007","20.429","0.01","90","","90","","90","","2442","2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C25 H16 F3 Mn N6 O5 S -","- C25 H12 F3 Mn N6 O5 S -","- C100 H48 F12 Mn4 N24 O20 S4 -","4","0.25","","Courseille, Christian; Dautant, A.; Mathoniere, C.; Pierre, C.; Verlhac, Jean-Baptiste; Vincent, J.-M.","","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7052870","11.524","0.005","9.41","0.005","9.133","0.005","90","","90","","90","","990.4","0.9","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","cobaltocenium triiodide","","","- C10 H10 Co I -","- C10 H10 Co I -","- C40 H40 Co4 I4 -","4","0.25","","Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi","Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes","New Journal of Chemistry","2012","36","4","1099","","10.1039/c2nj20760e","","","0.71073","MoKα","","0.0364","0.0356","","","0.1089","0.1095","","","","","","1.32","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7055521","16.9299","0.0006","14.845","0.0008","19.6945","0.0008","90","","90","","90","","4949.7","0.4","291","2","291.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C36 H40 Cu4 I8 N8 -","- C36 H40 Cu4 I8 N8 -","- C144 H160 Cu16 I32 N32 -","4","0.25","","Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei","Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties","New J. Chem.","2016","40","7","6086","","10.1039/C5NJ03321G","","","0.71073","MoKα","","0.074","0.0569","","","0.1578","0.1712","","","","","","1.054","","","","has coordinates,has disorder","185573","2020-10-21","18:00:00",""
"7056078","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Jia, Liangliang; Wang, Lijun","New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16","New J. Chem.","2017","","","","","10.1039/C7NJ00203C","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","194573","2020-10-21","18:00:00",""
"7056286","11.882","0.006","16.042","0.008","7.377","0.005","90","","90","","90","","1406.1","1.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C10 H11 Cl4 In N2 O -","- C10 H11 Cl4 In N2 O -","- C40 H44 Cl16 In4 N8 O4 -","4","0.25","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","","","","","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0333","0.0296","","","0.0663","0.0679","","","","","","1.174","","","","has coordinates","197557","2020-10-21","18:00:00",""
"7056989","16.284","0.002","21.324","0.003","17.361","0.002","90","","90","","90","","6028.4","1.3","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C46 H52 Ag3 F18 N12 P3 -","- C46 H52 Ag3 F18 N12 P3 -","- C184 H208 Ag12 F72 N48 P12 -","4","0.25","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0955","0.0703","","","0.1646","0.1767","","","","","","1.167","","","","has coordinates","230309","2020-10-21","18:00:00",""
"7057240","14.243","0.003","6.9172","0.0011","11.5429","0.0018","90","","90","","90","","1137.2","0.3","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Cu N2 O10 V4 -","- C4 H4 Cu N2 O10 V4 -","- C16 H16 Cu4 N8 O40 V16 -","4","0.25","","Li, Shaobin; Zhang, Li; Lu, Borong; Yan, Eryun; Wang, Tonghui; Li, Li; Wang, Jianxin; Yu, Yan; Mu, Qingdi","A new polyoxovanadate-based metal‒organic framework: synthesis, structure and photo-/electro-catalytic properties","New Journal of Chemistry","2018","42","9","7247","","10.1039/C7NJ05032A","","","0.71073","MoKα","","0.0415","0.0371","","","0.1043","0.11","","","","","","1.055","","","","has coordinates","230435","2020-10-21","18:00:00",""
"7058494","21.6448","0.0012","18.5636","0.001","21.1372","0.0012","90","","90","","90","","8493","0.8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C73 H57 Cl3 Cr N5 O4 -","- C73 H57 Cl3 Cr N5 O4 -","- C292 H228 Cl12 Cr4 N20 O16 -","4","0.25","","Huang, Chuanbing; Vignesh, Arumugam; Bariashir, Chantsalnyam; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Achievement of strictly linear ultra-high molecular weight polyethylene with narrow dispersity by dint of nitro-enhanced 2,6-bis(imino)pyridylchromium chloride complexes","New Journal of Chemistry","2019","43","28","11307","","10.1039/C9NJ02793A","","","0.71073","MoKα","","0.093","0.0616","","","0.1526","0.1654","","","","","","1.06","","","","has coordinates,has disorder","224680","2020-10-21","18:00:00",""
"7060007","16.5772","0.001","20.5702","0.001","20.9666","0.0011","90","","90","","90","","7149.5","0.7","296.15","","296.15","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C36 H41 Cl Cu3 N18 O43 Si W12 -","- C36 H41 Cl Cu3 N18 O43 Si W12 -","- C144 H164 Cl4 Cu12 N72 O172 Si4 W48 -","4","0.25","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0615","0.034","","","0.0624","0.0709","","","","","","1.072","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7100935","7.2835","0.0011","12.5836","0.0019","13.462","0.002","90","","90","","90","","1233.8","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100936","7.2858","0.0012","12.601","0.002","13.469","0.002","90","","90","","90","","1236.5","0.3","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100937","7.2828","0.0012","12.623","0.002","13.471","0.002","90","","90","","90","","1238.4","0.3","225","2","225","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100938","7.2765","0.001","12.6476","0.0018","13.4804","0.0018","90","","90","","90","","1240.6","0.3","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100939","7.275","0.003","12.687","0.005","13.487","0.005","90","","90","","90","","1244.8","0.8","375","2","375","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100941","8.3755","0.0004","32.1025","0.0013","8.8634","0.0005","90","","90","","90","","2383.1","0.2","273","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K10 O2 Tl6 -","- K10 O2 Tl6 -","- K40 O8 Tl24 -","4","0.25","","A. Karpov; M. Jansen","A10Tl6O2 (A = K, Rb), cluster compounds combining structural features of thallium cluster anions and of alkali-metal suboxides","Chemical Communications","2006","","","","","10.1039/b601802e","","","","","","","","","","","","","","","","","","","","","has coordinates","208245","2020-10-21","18:00:00",""
"7100942","8.7176","0.0001","33.2934","0.0003","9.1242","0.0001","90","","90","","90","","2648.19","0.05","273","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- O2 Rb10 Tl6 -","- O2 Rb10 Tl6 -","- O8 Rb40 Tl24 -","4","0.25","","A. Karpov; M. Jansen","A10Tl6O2 (A = K, Rb), cluster compounds combining structural features of thallium cluster anions and of alkali-metal suboxides","Chemical Communications","2006","","","","","10.1039/b601802e","","","","","","","","","","","","","","","","","","","","","has coordinates","208245","2020-10-21","18:00:00",""
"7102493","21.2105","0.0018","36.721","0.004","6.8606","0.0006","90","","90","","90","","5343.5","0.9","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C16 H8 O10 V2 -","- C16 H8 O10 V2 -","- C96 H48 O60 V12 -","6","0.375","","Barthelet, K; Marrot, J; Ferey, G; Riou, D","VIII(OH)[O2C-C6H4-CO2].(HO2C-C6H4-CO2H)x(DMF)y(H2O)z(or MIL-68), a new vanadocarboxylate with a large pore hybrid topology: reticular synthesis with infinite inorganic building blocks?","Chemical communications (Cambridge, England)","2004","","5","520","521","10.1039/b312589k","","","0.71073","MoKα","","0.1662","0.0975","","","0.2635","0.2867","","","","","","0.948","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102714","5.4072","0.001","12.978","0.002","11.362","0.002","90","","90","","90","","797.4","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al5 Ge5 V2 -","- Al5 Ge5 V2 -","- Al20 Ge20 V8 -","4","0.25","","Wu, Xiuni; Bilc, Daniel; Mahanti, Subhendra D; Kanatzidis, Mercouri G","V2Al5Ge5: first ternary intermetallic in the V-Al-Ge system accessible in liquid aluminium.","Chemical communications (Cambridge, England)","2004","","13","1506","1507","10.1039/b404035j","","","0.71073","MoKα","","0.0828","0.0486","","","0.0895","0.0996","","","","","","1.064","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7103194","3.9543","0.0003","15.9183","0.0006","5.2689","0.0002","90","","90","","90","","331.65","0.03","230","","230","1","","","","","","","?","4","C m c m","-C 2c 2","63","","Ag(CN)(NH3) at 230K (form I)","","- C H3 Ag N2 -","- C H3 Ag N2 -","- C4 H12 Ag4 N8 -","4","0.25","","Chippindale, Ann M; Head, Laura E; Hibble, Simon J","Simple linear asymmetrical complexes of silver(I): NC-Ag-NH3 and Br-Ag-NH3.","Chemical communications (Cambridge, England)","2008","","26","3010","3012","10.1039/b803500h","","","0.71073","MoKα","","0.0235","0.0166","","0.0182","0.0156","0.0156","","","","","","1.1035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104427","24.3052","0.0002","34.8021","0.0014","18.1552","0.0004","90","","90","","90","","15357","0.7","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- Ge3 H80 K6 Mn6 O154 Rb12 W30 -","- Ge3 K4 Mn6 O148.6 Rb11.8 W30 -","- Ge12 K16 Mn24 O594.4 Rb47.2 W120 -","4","0.25","","Mitchell, Scott G; Khanra, Sumit; Miras, Haralampos N; Boyd, Thomas; Long, De-Liang; Cronin, Leroy","The trinity of polyoxometalates: connecting {M12} Keggin and {M18} Dawson clusters to triangles.","Chemical communications (Cambridge, England)","2009","34","19","2712","2714","10.1039/b903206a","","","0.71073","MoKα","","0.0755","0.0477","","","0.1064","0.1137","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105690","27.493","0.003","16.418","0.018","28.809","0.003","90","","90","","90","","13004","14","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C103 H85 N5 O32 U6 -","- C103 H85 N5 O32 U6 -","- C412 H340 N20 O128 U24 -","4","0.25","","Victor Mougel; Biplab Biswas; Jacques Pecaut; Marinella Mazzanti","New insights into the acid mediated disproportionation of pentavalent uranyl.","Chem.Commun.","2010","46","","8648","","10.1039/c0cc03443f","","","0.71073","MoKα","","0.1822","0.0833","","","0.1985","0.2245","","","","","","0.758","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105692","27.4352","0.0004","16.325","0.0002","28.7642","0.0004","90","","90","","90","","12882.9","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C113 H95 N7 O32 U6 -","- C113 H87 N7 O32 U6 -","- C452 H348 N28 O128 U24 -","4","0.25","","Victor Mougel; Biplab Biswas; Jacques Pecaut; Marinella Mazzanti","New insights into the acid mediated disproportionation of pentavalent uranyl.","Chem.Commun.","2010","46","","8648","","10.1039/c0cc03443f","","","0.71073","MoKα","","0.1036","0.0865","","","0.2655","0.2725","","","","","","1.143","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7108267","26.631","0.005","7.6331","0.0015","6.812","0.0014","90","","90","","90","","1384.7","0.5","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H32 Co4 N5 O20 P5 -","- C5 H30.08 Co4 N5 O20 P5 -","- C10 H60.16 Co8 N10 O40 P10 -","2","0.125","","Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao","A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents","Chem.Commun.","2012","48","","9132","","10.1039/c2cc34020h","","","0.71073","MoKα","","0.0548","0.0402","","","0.1076","0.1159","","","","","","1.085","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108439","31.337","0.013","38.203","0.016","7.079","0.003","90","","90","","90","","8475","6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C34 H59 Cu N13 O10 S3 -","- C23 H12 Cu N13 O S -","- C184 H96 Cu8 N104 O8 S8 -","8","0.5","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.1592","0.1248","","","0.2856","0.3027","","","","","","1.029","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108440","31.552","0.006","37.319","0.007","7.1146","0.0014","90","","90","","90","","8377","3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C30 H43 Cu N13 O6 S3 -","- C22 H12 Cu N13 O -","- C176 H96 Cu8 N104 O8 -","8","0.5","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.0833","0.0692","","","0.2084","0.2241","","","","","","0.947","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7109682","44.598","0.004","27.606","0.003","27.251","0.003","90","","90","","90","","33551","6","175","2","175","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C32.5 H22 Er1.25 N6 O28.5 Ru Si0.5 W6 -","- C32.5 H22 Er1.25 N6 O28.5 Ru Si0.5 W6 -","- C520 H352 Er20 N96 O456 Ru16 Si8 W96 -","16","1","","Lei Wang; Weiting Yang; Fei-Yan Yi; Hao Wang; Zhigang Xie; Jinkui Tang; Zhong-Ming Sun","A highly efficient 'metalloligand' strategy for the synthesis of ternary Ln-Ru-W hybrids","Chem.Commun.","2013","49","","7911","","10.1039/c3cc43277g","","","0.71073","MoKα","","0.0822","0.0461","","","0.0947","0.1002","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110462","6.1219","0.0011","5.2029","0.001","10.244","0.003","90","","90","","90","","326.29","0.13","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C3 H6 O -","- C3 H6 O -","- C12 H24 O4 -","4","0.25","","Allan, David R.; Clark, Stewart J.; Ibberson, Richard M.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","The influence of pressure and temperature on the crystal structure of acetone","Chemical Communications","1999","","8","751","","10.1039/a900558g","","","0.71073","MoKα","","0.167","0.056","","","0.0805","0.0982","","","","","","0.907","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7110463","6.514","0.004","5.4159","0.0018","10.756","0.005","90","","90","","90","","379.5","0.3","160","2","160","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C3 H6 O -","- C3 H6 O -","- C12 H24 O4 -","4","0.25","","Allan, David R.; Clark, Stewart J.; Ibberson, Richard M.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","The influence of pressure and temperature on the crystal structure of acetone","Chemical Communications","1999","","8","751","","10.1039/a900558g","","","0.71073","MoKα","","0.0755","0.0516","","","0.1469","0.1667","","","","","","1.111","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110566","22.419","0.005","15.11","0.003","56.036","0.011","90","","90","","90","","18982","7","183","2","183","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C28 H176 Mo6 N14 O155 P4 S8 W34 -","- C20 Mo6 N10 O155 P4 S8 W34 -","- C80 Mo24 N40 O620 P16 S32 W136 -","4","0.25","","Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Hauptfleisch, Björn; Fenske, Heinz-Dieter; Baum, Gerhard","‘Adding’ stable functional complementary, nucleophilic and electrophilic clusters: a synthetic route to [{(SiW11O39)Mo3S4(H2O)3(μ-OH)}2]10− and [{(P2W17O61)Mo3S4(H2O)3(μ-OH)}2]14− as examples","Chemical Communications (Cambridge, United Kingdom)","1999","","13","1189","1190","10.1039/a903170g","","","0.71073","MoKα","","0.1421","0.1225","","","0.2312","0.2363","","","","","","1.789","","","","has coordinates","209523","2020-10-21","18:00:00",""
"7111044","15.197","0.003","7.201","0.001","6.672","0.001","90","","90","","90","","730.1","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C4 H4 Fe N8 -","- C4 H4 Fe N8 -","- C16 H16 Fe4 N32 -","4","0.25","","Hao, Xiang; Wei, Yongge; Zhang, Shiwei","Crystal structure and metamagnetic property of a 2-D layered complex, [FeII(N3)2(pyz)]n (pyz = pyrazine)","Chemical Communications","2000","","22","2271","","10.1039/b005137n","","","0.71073","MoKα","","0.0707","0.0647","","","0.1648","0.1741","","","","","","1.101","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111750","18.245","0.004","15.165","0.003","19.997","0.004","90","","90","","90","","5533","2","260","2","260","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C52 H48 Cl4 Fe4 P4 Sn4 -","- C52 H49 Cl4 Fe4 P4 Sn4.12 -","- C208 H196 Cl16 Fe16 P16 Sn16.48 -","4","0.25","","Naseri, Vesal; Less, Robert J.; Mulvey, Robert E.; McPartlin, Mary; Wright, Dominic S.","Stoichiometric and catalytic Sn-mediated dehydrocoupling of primary phosphines","Chemical Communications","2010","46","27","5000","5002","10.1039/c0cc00827c","","","0.71073","MoKα","","0.0568","0.0363","","","0.0891","0.1002","","","","","","1.031","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111991","30.1962","0.0006","35.7662","0.0006","21.6486","0.0004","90","","90","","90","","23380.6","0.7","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- H134 N12 O184 Pd6 Se6 W39 -","- N10 O176.2 Pd6 Se6 W39 -","- N40 O704.8 Pd24 Se24 W156 -","4","0.25","","Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin","Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles","Chem.Commun.","2014","50","","2155","","10.1039/c3cc49293a","","","0.71073","MoKα","","0.0958","0.0628","","","0.1574","0.1799","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7114949","8.607","0.003","24.591","0.008","15.941","0.004","90","","90","","90","","3374","1.8","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H40 Cr3 N2 O10 Se2 -","- C34 H56 Cr3 N2 O10 Se2 -","- C136 H224 Cr12 N8 O40 Se8 -","4","0.25","","Shieh, Minghuey; Ho, Li-Fang; Jang, Li-Fing; Ueng, Chuen-Her; Peng, Shie-Ming; Liu, Yi-Huang","First selenium-capped carbonyltrichromium complex [Se2Cr3(CO)10]2−: a novel Cr3 ring cluster","Chemical Communications","2001","","11","1014","","10.1039/b101283p","","","0.7093","MolybdenumKα","","0.132","0.059","","0.049","0.047","","","","","2.33","2.33","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115196","7.5526","0.0003","12.2167","0.0008","7.5882","0.0004","90","","90","","90","","700.15","0.07","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C4 N6 Zn -","- C4 N6 Zn -","- C16 N24 Zn4 -","4","0.25","","Jensen, Paul; Batten, Stuart R.; Fallon, Gary D.; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.","Structural isomers of M(dca)2 molecule-based magnets. Crystal structure of tetrahedrally coordinated sheet-like β-Zn(dca)2 and β-Co/Zn(dca)2, and the octahedrally coordinated rutile-like α-Co(dca)2, where dca‒ = dicyanamide, N(CN)2−, and magnetism of β-Co(dca)2","Chemical Communications","1999","","2","177","","10.1039/a808777f","","","0.7107","MoKalpha","","0.0438","0.039","","","0.1208","0.1246","","","","","","1.217","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7116260","16.3536","0.0011","8.6485","0.0005","7.7268","0.0005","90","","90","","90","","1092.83","0.12","273","2","273","2","","","","","","","","5","C m c m","-C 2c 2","63","(Dipropylammonium)(ClO4)","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C24 H64 Cl4 N4 O16 -","4","0.25","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","1.54184","CuKα","","0.0762","0.0723","","","0.2089","0.2176","","","","","","1.116","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116499","10.3657","0.0009","13.2968","0.0011","16.2518","0.0014","90","","90","","90","","2240","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H20 F12 N4 Ni P -","- C18 H20 F12 N4 Ni P -","- C72 H80 F48 N16 Ni4 P4 -","4","0.25","","Fengzhi Tang; Nigam P. Rath; Liviu M. Mirica","Stable bis(trifluoromethyl)nickel(III) complexes","Chem.Commun.","2015","51","","3113","","10.1039/C4cc09594D","","","0.71073","MoKα","","0.1004","0.0859","","","0.2402","0.2561","","","","","","1.1","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7117020","16.583","0.003","12.975","0.003","7.3106","0.0015","90","","90","","90","","1573","0.6","293","2","100","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd2 H8 O7 -","- Gd2 H8 O7 -","- Gd16 H64 O56 -","8","0.5","","Yan Yang; Qian-Chong Zhang; Yin-Yin Pan; La-Sheng Long; Lan-Sun Zheng","Magnetocaloric effect and thermal conductivity of Gd(OH)3 and Gd2O(OH)4(H2O)2","Chem.Commun.","2015","51","","7317","","10.1039/C5cc01254F","","","0.71073","MoKα","","0.0748","0.0661","","","0.1743","0.1903","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7118866","14.1671","0.0003","19.7299","0.0004","7.74397","0.00016","90","","90","","90","","2164.56","0.08","130","2","130","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H14 Bi Br7 N2 -","- C12 H14 Bi Br7 N2 -","- C48 H56 Bi4 Br28 N8 -","4","0.25","","Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.","Chemical communications (Cambridge, England)","2016","52","28","5061","5063","10.1039/c6cc01704e","","x-ray","0.71073","MoKα","","0.0336","0.0302","","","0.076","0.0782","","","","","","1.074","","","","has coordinates","181567","2020-10-21","18:00:00",""
"7119018","10.267","0.005","32.086","0.005","6.955","0.005","90","0.005","90","0.005","90","0.005","2291","2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","USTC-7","","","- C15 H7 N4 O7 Zn2 -","- C15 H7 N4 O7 Zn2 -","- C60 H28 N16 O28 Zn8 -","4","0.25","","Yingli Hu; Meili Ding; Xiao-Qin Liu; Lin-Bing Sun; Hai-Long Jiang","Rational synthesis of an exceptionally stable Zn(II) metal-organic framework for the highly selective and sensitive detection of picric acid","Chem.Commun.","2016","52","","5734","","10.1039/C6CC01597B","","","0.71069","MoKα","","0.0598","0.053","","","0.1538","0.1588","","","","","","1.108","","","","has coordinates","192150","2020-10-21","18:00:00",""
"7119034","18.985","0.0008","10.8911","0.0005","14.8749","0.0007","90","","90","","90","","3075.6","0.2","180","2","180","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C20 H57 B2 Li N2 P2 Sn -","- C20 H57 B2 Li N2 P2 Sn -","- C80 H228 B8 Li4 N8 P8 Sn4 -","4","0.25","","Maria Fernandez-Millan; Lucy K. Allen; Raul Garcia-Rodriguez; Andrew D. Bond; Marta E. G. Mosquera; Dominic S. Wright","Formation of a unique 'unsupported' hydridic stannate(II)","Chem.Commun.","2016","52","","5993","","","","","1.54178","CuKα","","0.0251","0.0228","","","0.0546","0.0561","","","","","","1.091","","","","has coordinates,has disorder","183980","2020-10-21","18:00:00",""
"7119779","29.9341","0.0013","28.039","0.0013","7.9233","0.0004","90","","90","","90","","6650.2","0.5","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","SIFSIX-15-Cu-i","","- C40 H24 Cu F6 N4 Si -","- C40 H24 Cu F6 N4 Si -","- C160 H96 Cu4 F24 N16 Si4 -","4","0.25","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.1151","0.1026","","","0.2759","0.2877","","","","","","1.041","","","","has coordinates","194927","2020-10-21","18:00:00",""
"7119780","29.756","0.004","29","0.004","7.6262","0.0011","90","","90","","90","","6580.8","1.6","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C41 H24 F6 N4 O Si Zn -","- C41 H24 F6 N4 O Si Zn -","- C164 H96 F24 N16 O4 Si4 Zn4 -","4","0.25","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.1867","0.1558","","","0.3735","0.3922","","","","","","1.08","","","","has coordinates","194927","2020-10-21","18:00:00",""
"7120150","26.672","0.004","7.4623","0.001","21.658","0.003","90","","90","","90","","4310.7","1.1","93","","93","","","","","","","","","6","C m c m","-C 2c 2","63","[LNi2]_2CHCl3","LNi2","","- C46 H34 Cl6 N4 Ni2 O8 -","- C46 H34 Cl6 N4 Ni2 O8 -","- C184 H136 Cl24 N16 Ni8 O32 -","4","0.25","","Sakata, Yoko; Kobayashi, Seiya; Akine, Shigehisa","Two-step modulation of ion recognition using a bis(saloph)-macrocyclic host having a 24-crown-8-like cavity","Chem. Commun.","2017","","","","","10.1039/C7CC02641B","","","0.71073","MoKα","","0.1575","0.0878","","","0.1296","0.1576","","","","","","1.159","","","","has coordinates,has disorder","196799","2020-10-21","18:00:00",""
"7120700","3.3873","0.0002","9.4079","0.0009","3.7587","0.0002","90","","90","","90","","119.78","0.015","295","","295","","36760000","","","","","","","2","C m c m","-C 2c 2","63","","","NiBi","- Bi Ni -","- Bi Ni -","- Bi4 Ni4 -","4","0.25","","Powderly, Kelly M.; Clarke, Samantha M.; Amsler, Maximilian; Wolverton, Chris M.; Malliakas, Christos D.; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna","High-pressure discovery of β-NiBi","Chem. Commun.","2017","","","","","10.1039/C7CC06471C","powder diffraction","","0.406626","","","2.98","","","","","","","","1.04","","","","","","","has coordinates","201190","2020-10-21","18:00:00",""
"7121639","21.892","0.01","37.916","0.008","7.257","0.0015","90","","90","","90","","6024","3","125","2","125","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H0 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0837","0.0767","","","0.1922","0.1955","","","","","","1.057","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121640","21.851","0.004","37.882","0.013","7.246","0.0015","90","","90","","90","","5998","3","225","2","225","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.08","0.0729","","","0.1972","0.2007","","","","","","1.125","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121641","21.884","0.004","37.906","0.013","7.253","0.0015","90","","90","","90","","6017","3","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0828","0.0754","","","0.195","0.1985","","","","","","1.082","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121642","21.841","0.01","37.87","0.008","7.246","0.0015","90","","90","","90","","5993","3","250","2","250","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0807","0.0731","","","0.2029","0.2068","","","","","","1.142","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121643","21.86","0.004","37.89","0.013","7.248","0.0015","90","","90","","90","","6003","3","200","2","200","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.71073","MoKα","","0.0816","0.0741","","","0.1972","0.2007","","","","","","1.084","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121644","21.872","0.01","37.897","0.008","7.25","0.0015","90","","90","","90","","6009","3","175","2","175","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0826","0.0751","","","0.1942","0.1976","","","","","","1.073","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7122512","11.5686","0.0015","20.037","0.003","7.0578","0.0011","90","","90","","90","","1636","0.4","353","2","353","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H16 N3 O8 P -","- C11 H13 N3 O8 P -","- C44 H52 N12 O32 P4 -","4","0.25","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1343","0.1223","","","0.3421","0.3895","","","","","","1.012","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122656","11.7746","0.0007","7.8765","0.0007","11.2397","0.0009","90","","90","","90","","1042.4","0.14","160","0.1","160","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","1,1,1-Trifluoro-2-iodoethane benzene","","- C8 H8 F3 I -","- C8 H8 F3 I -","- C32 H32 F12 I4 -","4","0.25","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0298","0.0244","","","0.0578","0.0614","","","","","","1.114","","","","has coordinates","212233","2020-10-21","18:00:00",""
"7122657","11.6928","0.0005","7.8172","0.0005","11.17","0.0007","90","","90","","90","","1020.99","0.1","100","0.1","100","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","1,1,1-Trifluoro-2-iodoethane benzene","","- C8 H8 F3 I -","- C8 H8 F3 I -","- C32 H32 F12 I4 -","4","0.25","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0234","0.0203","","","0.0452","0.0473","","","","","","1.091","","","","has coordinates","212233","2020-10-21","18:00:00",""
"7123322","3.26861","0.00004","9.17461","0.00012","8.53206","0.0001","90","","90","","90","","255.861","0.005","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","ReGaGe2","","- Ga Ge2 Re -","- Ga0.9999 Ge2.0001 Re -","- Ga3.9996 Ge8.0004 Re4 -","4","0.25","","Likhanov, Maxim; Khalaniya, Roman A.; Verchenko, Valeriy; Gippius, Andrei; Zhurenko, Sergei; Tkachev, Alexey V.; Fazlizhanova, Dina I.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.","ReGaGe2: Intermetallic Compound with Semiconducting Properties and Localized Bonding","Chemical Communications","2019","","","","","10.1039/C9CC02563D","powder diffraction","x-ray","1.54187","CuKα","","0.0553","0.0539","","0.0678","0.0676","","","","1.63","","","","","","","has coordinates","214715","2020-10-21","18:00:00",""
"7123392","23.3532","0.0008","27.1392","0.0008","25.6913","0.0008","90","","90","","90","","16282.8","0.9","298","2","298","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C164 H136 Ag8 Cl2 N6 O8 P8 -","- C164 H132 Ag8 N6 P8 -","- C656 H528 Ag32 N24 P32 -","4","0.25","","Zhang, Xu; Wang, Jin-Yun; Huang, Ya-Zi; Yang, Ming; Chen, Zhong-Ning","Silver(I) Nanoclusters of Carbazole-1,8-Bis(acetylide): from Visible to Near-infrared Emission","Chemical Communications","2019","","","","","10.1039/C9CC02066G","","","0.71073","MoKα","","0.0598","0.0462","","","0.1721","0.2011","","","","","","0.95","","","","has coordinates","214972","2020-10-21","18:00:00",""
"7123393","23.01","0.0016","26.8097","0.0016","24.9769","0.0016","90","","90","","90","","15408","1.7","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C164 H136 Ag8 Cl2 N6 O8 P8 -","- C164 H132 Ag8 N6 P8 -","- C656 H528 Ag32 N24 P32 -","4","0.25","","Zhang, Xu; Wang, Jin-Yun; Huang, Ya-Zi; Yang, Ming; Chen, Zhong-Ning","Silver(I) Nanoclusters of Carbazole-1,8-Bis(acetylide): from Visible to Near-infrared Emission","Chemical Communications","2019","","","","","10.1039/C9CC02066G","","","0.71073","MoKα","","0.1476","0.095","","","0.2191","0.2612","","","","","","1.096","","","","has coordinates,has disorder","214972","2020-10-21","18:00:00",""
"7123697","17.4113","0.0005","33.6611","0.0011","20.8777","0.0006","90","","90","","90","","12236.1","0.6","170","2","169.99","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C51 H47 F18 N8 O7 P3 S -","- C51 H47 F18 N8 O7 P3 S -","- C408 H376 F144 N64 O56 P24 S8 -","8","0.5","","Lei, Ye; Shen, Libo; Liu, Ji-Ren; Jiao, Tianyu; Zhang, Yang; Zhang, Chi; tong, lu; Hong, Xin; Pan, Yuanjiang; Li, Hao","A diquat-contained macrocyclic anion acceptor in pure water","Chemical Communications","2019","","","","","10.1039/C9CC03750K","","","1.34139","GaKα","","0.2111","0.1307","","","0.3618","0.4193","","","","","","1.318","","","","has coordinates,has disorder","216432","2020-10-21","18:00:00",""
"7125312","22.924","0.028","20.536","0.021","7.7158","0.0017","90","","90","","90","","3632","6","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H24 Cu F6 N4 Ti -","- C112 H96 Cu4 F14 N12 Ti -","- C448 H384 Cu16 F56 N48 Ti4 -","4","0.25","","Bajpai, Alankriti; O'Nolan, Daniel; Madden, David G.; Chen, Kai-Jie; Pham, Tony; Kumar, Amrit; Lusi, Matteo; Perry, John J.; Space, Brian; Zaworotko, Michael J.","The effect of centred versus offset interpenetration on C<sub>2</sub>H<sub>2</sub> sorption in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","84","11592","11595","10.1039/c7cc05882a","powder diffraction","x-ray","0.8262","","","","","","","","","0.96111","","5.79","","","","","","","has coordinates","235592","2020-10-21","18:00:00",""
"7127570","23.5114","0.0003","19.5012","0.0003","19.881","0.0003","90","","90","","90","","9115.4","0.2","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C98 H130 B3 Dy N4 O6 -","- C97.5 H130 B3 Dy N4 O6 -","- C390 H520 B12 Dy4 N16 O24 -","4","0.25","","Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T.","Insights into <i>D</i><sub>4h</sub>@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex.","Chemical communications (Cambridge, England)","2021","57","6","733","736","10.1039/d0cc07446b","","x-ray","0.71073","MoKα","","0.0672","0.0629","","","0.1322","0.1342","","","","","","1.181","","","","has coordinates,has disorder","261551","2021-02-04","22:38:51",""
"7129743","13.439","0.0016","28.091","0.004","9.4068","0.001","90","","90","","90","","3551.2","0.8","120","2","120","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C28 H26 Cu2 I2 N5 -","- C28 H25 Cu2 I2 N5 -","- C112 H100 Cu8 I8 N20 -","4","0.25","","Zhong, Bingwen; Huang, Huilin; Jing, Xu; Duan, Chunying","Binuclear copper iodine cluster-based coordination sheets as photocatalysts for decarboxylative cyanation.","Chemical communications (Cambridge, England)","2022","58","24","3961","3964","10.1039/d2cc00547f","","","0.71073","MoKα","","0.0516","0.0458","","","0.1245","0.13","","","","","","1.058","","","","has coordinates,has disorder","274960","2022-05-05","20:23:32",""
"7131247","17.1568","0.0011","18.8562","0.001","15.1154","0.0009","90","","90","","90","","4890","0.5","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C21.72 H65.15 Cl2.28 Ge4.86 Si9.14 -","- C21.718 H67.148 Cl2.282 Ge4.859 Si9.141 -","- C86.872 H268.592 Cl9.128 Ge19.436 Si36.564 -","4","0.25","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0762","0.0429","","","0.0864","0.0995","","","","","","1.04","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131248","17.4656","0.0005","18.7853","0.0006","15.0222","0.0005","90","","90","","90","","4928.7","0.3","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H72 Ge6 Si8 -","- C24 H72 Ge6 Si8 -","- C96 H288 Ge24 Si32 -","4","0.25","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0334","0.0268","","","0.0632","0.0656","","","","","","1.124","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131865","11.8846","0.0009","11.8525","0.0008","23.941","0.0016","90","","90","","90","","3372.4","0.4","273","2","273.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C10 H32 Bi I9 N4 -","- C10 H32 Bi I9 N4 -","- C40 H128 Bi4 I36 N16 -","4","0.25","","Wang, Yuyin; Zhang, Shaoya; Wang, Yinan; Yan, Jishuang; Yao, Xinran; Xu, Man; Lei, Xiao-Wu; Lin, Guoming; Yue, Cheng-Yang","0D triiodide hybrid halide perovskite for X-ray detection.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01183f","","","0.71073","MoKα","","0.0685","0.0513","","","0.1256","0.1345","","","","","","1.093","","","","has coordinates","285124","2023-07-10","21:53:17",""
"7131943","11.6718","0.0002","18.9425","0.0003","11.4351","0.0002","90","","90","","90","","2528.22","0.07","123.15","","123.15","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C20 H8 Co O6 -","- C20 H8 Co O6 -","- C80 H32 Co4 O24 -","4","0.25","","Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","Ideal trigonal prismatic coordination geometry of Co(II) in a honeycomb MOF with a triptycene-based ligand","Chemical Communications","2023","","","","","10.1039/D3CC02986G","","x-ray","0.71073","MoKα","","0.0285","0.028","","","0.0802","0.0805","","","","","","1.107","","","","has coordinates","285364","2023-07-27","21:56:49",""
"7132618","11.8846","0.0009","11.8525","0.0008","23.941","0.0016","90","","90","","90","","3372.4","0.4","273","2","273.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C10 H32 Bi I9 N4 -","- C10 H32 Bi I9 N4 -","- C40 H128 Bi4 I36 N16 -","4","0.25","","Wang, Yu-Yin; Kang, Huai-Yuan; Zhang, Shao-Ya; Qu, Hao; Zhu, Lin; Zhao, Dan; Li, Xian-Feng; Lei, Xiao-Wu; Yue, Cheng-Yang","Exploring 0D lead-free metal halide with highly efficient blue light emission and high-sensitivity photodetection.","Chemical communications (Cambridge, England)","2024","60","20","2784","2787","10.1039/d3cc06010a","","","0.71073","MoKα","","0.0685","0.0513","","","0.1256","0.1345","","","","","","1.093","","","","has coordinates","290823","2024-04-04","22:34:19",""
"7200956","6.8156","0.0006","12.7537","0.0012","14.1899","0.0011","90","","90","","90","","1233.44","0.19","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","8","8","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C40 H72 N8 O20 -","4","0.25","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0896","0.0591","","","0.1117","0.1283","","","","","","1.171","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201873","28.752","0.0017","12.369","0.0012","6.969","0.0008","90","","90","","90","","2478.4","0.4","295","2","295","2","","","","","","","","6","C m c m","-C 2c 2","63","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene- tetrafluoroborate","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-tetrafluoroborate","","- C18 H16 B F4 O4 S8 -","- C18 H8 B F3.5 O4 S8 -","- C72 H32 B4 F14 O16 S32 -","4","0.25","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71073","MoKα","","0.0725","0.0574","","","0.1644","0.1793","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201874","29.107","0.003","12.412","0.0006","6.962","0.0007","90","","90","","90","","2515.2","0.4","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perchlorate","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perchlorate","","- C18 H16 Cl O8 S8 -","- C18 H8 Cl O7.5 S8 -","- C72 H32 Cl4 O30 S32 -","4","0.25","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71073","MoKα","","0.0654","0.0492","","","0.1471","0.162","","","","","","1.054","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202160","11.2436","0.0012","15.2627","0.0016","13.0841","0.0014","90","","90","","90","","2245.3","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H10 N6 Na2 O14 Zn2 -","- C18 H10 N6 Na2 O14 Zn2 -","- C72 H40 N24 Na8 O56 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0619","0.0565","","","0.1262","0.1302","","","","","","1.11","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202161","10.72","0.003","15.228","0.005","13.331","0.004","90","","90","","90","","2176.2","1.1","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 Mn2 N6 O12 -","- C18 H6 K2 Mn2 N6 O12 -","- C72 H24 K8 Mn8 N24 O48 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0405","0.0337","","","0.0853","0.0874","","","","","","0.982","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202162","10.7037","0.001","15.064","0.0014","13.2866","0.0016","90","","90","","90","","2142.3","0.4","273","2","273","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 N6 O12 Zn2 -","- C18 H6 K2 N6 O12 Zn2 -","- C72 H24 K8 N24 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0285","0.0245","","","0.0648","0.068","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202164","10.9117","0.0012","14.9509","0.0015","13.3255","0.0013","90","","90","","90","","2173.9","0.4","273","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H14 N8 O12 Zn2 -","- C18 H14 N8 O12 Zn2 -","- C72 H56 N32 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0859","0.0653","","","0.1506","0.1646","","","","","","1.075","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202190","28.331","0.003","16.147","0.0012","7.176","0.0009","90","","90","","90","","3282.7","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Cl2 Cu N12 O12 -","- C20 H16 Cl2 Cu N12 O3 -","- C80 H64 Cl8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0471","0.037","","","0.0968","0.099","","","","","","1.013","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202191","28.449","0.003","15.7732","0.0017","7.2593","0.0007","90","","90","","90","","3257.5","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Br2 Cu N12 O12 -","- C20 H16 Br2 Cu N12 O3 -","- C80 H64 Br8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0963","0.074","","","0.1876","0.1989","","","","","","0.969","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202195","25.822","0.002","7.7119","0.0007","25.1892","0.0019","90","","90","","90","","5016.1","0.7","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","Tris(5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato) dicopper(ii) Chloride, Dodecahydrate","Tris[5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato] dicopper(II) Chloride, Dodecahydrate","","- C27 H42 Cl Cu2 N21 O12 -","- C28 H18 Cl Cu2 N20 O5 -","- C112 H72 Cl4 Cu8 N80 O20 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0612","0.0431","","","0.1226","0.1302","","","","","","1.047","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7204124","7.098","0.001","16.255","0.001","16.541","0.001","90","","90","","90","","1908.5","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","4,5-dibromo-4',5'-bis(methylsulfanyl)tetrathiafulvalenium triiodide","","- C8 H6 Br2 I3 S6 -","- C8 H6 Br2 I3 S6 -","- C32 H24 Br8 I12 S24 -","4","0.25","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0305","0.0245","","0.0614","0.0561","","","","1.188","1.178","1.178","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7206884","8.8848","0.0006","10.8203","0.0007","11.8758","0.0007","90","","90","","90","","1141.69","0.13","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H21 I N2 -","- C8 H21 I N2 -","- C32 H84 I4 N8 -","4","0.25","","Beran, Gregory J. O.; Chronister, Eric L.; Daemen, Luke L.; Moehlig, Aaron R.; Mueller, Leonard J.; Oomens, Jos; Rice, Andrew; Santiago-Dieppa, David R; Tham, Fook S.; Theel, Kelly; Yaghmaei, Sepideh; Morton, Thomas Hellman","Vibrations of a chelated proton in a protonated tertiary diamine.","Physical chemistry chemical physics : PCCP","2011","13","45","20380","20392","10.1039/c1cp22065a","","","0.71073","MoKα","","0.023","0.02","","","0.0437","0.0446","","","","","","1.091","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7209348","9.292","","7.903","","5.773","","90","","90","","90","","423.938","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na2 Ag Sb","","- Ag Na2 Sb -","- Ag Na2 Sb -","- Ag4 Na8 Sb4 -","4","0.25","","Schuster, H.U.; Jung, W.; Mues, C.","Darstellung und Kristallstruktur des Na2 Ag Sb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","354","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209353","15.347","","15.659","","13.691","","90","","90","","90","","3290.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ag10 Te4 Br2.404 Cl0.596","","- Ag10 Br2.404 Cl0.596 Te4 -","- Ag10 Br2.39 Cl0.61 Te4 -","- Ag80 Br19.12 Cl4.88 Te32 -","8","0.5","","Nilges, T.; Bawohl, M.; Lange, S.","Ag10 Te4 Br(3-x) Cl(x) and Ag10 Te4 Br(3-y) I(y): structural and electrical property tuning of a mixed conductor by partial anion substitution","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","955","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209385","4.681","","11.055","","7.535","","90","","90","","90","","389.925","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu Au In2","","- Au Eu In2 -","- Au Eu In2 -","- Au4 Eu4 In8 -","4","0.25","","Kal'ichak, Ya.M.; Hoffmann, R.D.; Poettgen, R.; Zaremba, V.I.","New indides Eu Au In2, Eu Pd In4, Gd Rh In2, Yb Rh In4, and Yb Pd In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","834","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209394","9.279","","7.562","","5.841","","90","","90","","90","","409.85","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na2 Au Sb","","- Au Na2 Sb -","- Au Na2 Sb -","- Au4 Na8 Sb4 -","4","0.25","","Mues, C.; Schuster, H.U.","Na2 Au As, Na2 Au Sb, K2 Au Sb - drei neue A2 B X-Verbindungen mit B-X-Kettenstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","1055","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209797","8.0166","0.001","12.9113","0.0009","6.5423","0.0006","90","","90","","90","","677.16","0.11","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H5 Cl N2 S -","- C4 H5 Cl N2 S -","- C16 H20 Cl4 N8 S4 -","4","0.25","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.71073","MoKα","","0.0377","0.0318","","","0.0848","0.0867","","","","","","1.138","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7211121","12.1485","0.0012","11.8621","0.0013","12.3655","0.0012","90","","90","","90","","1782","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs F5 O4 U2 -","- Cs F5 O4 U2 -","- Cs8 F40 O32 U16 -","8","0.5","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0306","0.0273","","","0.0701","0.0719","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211629","19.251","0.002","20.681","0.002","16.032","0.0017","90","","90","","90","","6382.8","1.1","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","(In(OEP)Cl)C60.benzene","","","- C102 H50 Cl In N4 -","- C102 H50 Cl In N4 -","- C408 H200 Cl4 In4 N16 -","4","0.25","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0995","0.0726","","","0.2029","0.2115","","","","","","1.16","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7212053","16.2792","0.0017","26.712","0.003","17.4205","0.0019","90","","90","","90","","7575.3","1.4","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31.5 H30 Ag F6 N4 O0.5 P -","- C31.5 H28 Ag F6 N4 O0.5 P -","- C252 H224 Ag8 F48 N32 O4 P8 -","8","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1288","0.0939","","","0.2807","0.3366","","","","","","1.269","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212276","23.382","0.003","22.002","0.003","21.936","0.003","90","","90","","90","","11285","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C43 H49 Cl5 Co2 N5 -","- C43 H49 Cl5 Co2 N5 -","- C344 H392 Cl40 Co16 N40 -","8","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1075","0.0677","","","0.1901","0.2101","","","","","","0.958","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212983","18.619","0.002","19.864","0.002","8.4853","0.0008","90","","90","","90","","3138.3","0.5","301","2","301","2","","","","","","","grown by electrocrystallization","5","C m c m","-C 2c 2","63","","Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalenium tetrachloroaurate(III) dichloroaurate(I) (1:1:1)","","- C18 H32 Au2 Cl6 S8 -","- C18 Au2 Cl6 S8 -","- C72 Au8 Cl24 S32 -","4","0.25","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.0844","0.059","","0.1232","0.1131","","","","1.155","1.201","1.201","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7214348","35.258","0.005","8.7597","0.0015","29.409","0.004","90","","90","","90","","9083","2","123","2","123","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C84 H106 Cl6 Cu5 N8 O23 -","- C84 H96 Cl6 Cu5 N8 O22.96 -","- C336 H384 Cl24 Cu20 N32 O91.84 -","4","0.25","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.1302","0.0754","","","0.1963","0.2311","","","","","","1.032","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7216467","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216568","6.571","0.002","21.718","0.006","12.65","0.004","90","","90","","90","","1805.3","0.9","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","[CuL2m]4[CuCl4]Cl6.5H2O","","","- C32 H82 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","1","0.0625","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0686","0.0548","","0.164","","0.155","","","1.085","","","1.163","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7217701","24.8319","0.0017","33.532","0.0017","18.7099","0.0016","90","","90","","90","","15579","1.9","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C69 H27 Cu6 O36 -","- C69 H27 Cu6 O36 -","- C276 H108 Cu24 O144 -","4","0.25","","Duan, Xing; Song, Ruijing; Yu, Jiancan; Wang, Hailong; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","A new microporous metal-organic framework with open metal sites and exposed carboxylic acid groups for selective separation of CO2/CH4 and C2H2/CH4","RSC Advances","2014","","","","","10.1039/C4RA07246D","","","0.71073","MoKα","","0.1459","0.0587","","","0.1512","0.1725","","","","","","0.809","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217821","7.6903","0.0015","18.058","0.004","7.1118","0.0014","90","","90","","90","","987.6","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C20 H24 Br12 Cd4 N4 -","4","0.25","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0358","0.0283","","","0.061","0.063","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218207","16.771","0.003","15.274","0.003","7.6839","0.0015","90","","90","","90","","1968.3","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H12 B F2 I2 N3 -","- C18 H12 B F2 I2 N3 -","- C72 H48 B4 F8 I8 N12 -","4","0.25","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0612","0.0522","","","0.1526","0.1896","","","","","","1.086","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7221039","18.0071","","5.5979","","5.592","","90","","90","","90","","563.684","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li2 Sr (Nb2 O7)","","- Li2 Nb2 O7 Sr -","- Li2 Nb2 O7 Sr -","- Li8 Nb8 O28 Sr4 -","4","0.25","","Floros, N.; Raveau, B.; Hervieu, M.; Michel, C.","New n=2 members of the Li2 Srn-1 Mn O3n+1 family, closely related to the Ruddlesden-Popper phases: structure and non-stoichiometry","Journal of Materials Chemistry","1999","9","","3101","3106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221166","5.42","","9.39","","29.62","","90","","90","","90","","1507.47","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Na9 Sn4 -","- Na9 Sn4 -","- Na36 Sn16 -","4","0.25","","Mueller, W.; Volk, K.","Die Strukturen der Phasen Na9 Sn4 und Na15 Sn4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1978","33","","275","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221172","2.708","","4.696","","5.471","","90","","90","","90","","69.573","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","(Hg Zn3)","","- Hg Zn3 -","- Hg Zn3 -","- Hg Zn3 -","1","0.0625","","Puselj, M.; Ban, Z.; Drasner, A.","On the crystal structure of Hg Zn3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1982","37","","557","559","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221228","4.57","","19.55","","4.52","","90","","90","","90","","403.833","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cu Sn2 Sr -","- Cu Sn2 Sr -","- Cu4 Sn8 Sr4 -","4","0.25","","May, N.; Schaefer, H.","Die Struktur von Sr Cu Sn2 and Ba Cu Sn2 und ihrer Verwandtschaft zum Bi O Cl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1974","29","","20","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221230","4.562","","9.542","","4.364","","90","","90","","90","","189.968","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Li2 Ga","","- Ga Li2 -","- Ga Li2 -","- Ga4 Li8 -","4","0.25","","Mueller, W.; Stoehr, J.","Die Kristallstruktur von Li2 Ga und Li3 Ga2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","631","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221340","6.5","","5.35","","11.33","","90","","90","","90","","394.001","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ni2 Si2 -","- Ba Ni2 Si2 -","- Ba4 Ni8 Si8 -","4","0.25","","Doerrscheidt, W.; Schaefer, H.","Die Struktur der Phase Ba Ni2 Si2 und ihre Verwandtschaft zum Th Cr2 Si2-Strukturtyp","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","297","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221352","4.35","","11.99","","4.516","","90","","90","","90","","235.539","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs (O H)","","- Cs H O -","- Cs O -","- Cs4 O4 -","4","0.25","","Jacobs, H.; Harbrecht, B.","Eine neue Darstellungsmethode fuer Caesiumhydroxid","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","270","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221367","6.355","","13.898","","5.9","","90","","90","","90","","521.099","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 Pd P2","","- K2 P2 Pd -","- K2 P2 Pd -","- K8 P8 Pd4 -","4","0.25","","Rozsa, S.; Schuster, H.U.","K2 Pd P2 and K2 Pt As2, two further compounds with a M P2 (As2)-chain-structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","1666","1667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221368","8.67","","6.98","","5.3","","90","","90","","90","","320.738","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cu Na2 P -","- Cu Na2 P -","- Cu4 Na8 P4 -","4","0.25","","Savelsberg, G.; Schaefer, H.","Darstellung und Kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","745","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221381","4.625","","14.885","","11.857","","90","","90","","90","","816.273","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pb Tl I3","","- I3 Pb Tl -","- I3 Pb Tl -","- I12 Pb4 Tl4 -","4","0.25","","Stoeger, W.","Die Kristallstrukturen von Tl Pb I3 und Tl4 Pb I6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","975","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221390","4.416","","19.035","","8.838","","90","","90","","90","","742.91","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","Rb Hg (C N)2 Cl H2 O","","- C2 H2 Cl Hg N2 O Rb -","- C2 Cl Hg N2 O Rb -","- C8 Cl4 Hg4 N8 O4 Rb4 -","4","0.25","","Thiele, G.; Brodersen, K.; Frohring, H.M.","On cyanohalogenomercurates of alkali metals","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","180","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221480","4.4744","","10.7948","","8.1323","","90","","90","","90","","392.792","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu Pd Tl2 -","- Eu Pd Tl2 -","- Eu4 Pd4 Tl8 -","4","0.25","","Kraft, R.; Sebastian, C.P.; Rayaprol, S.; Poettgen, R.","Ferromagnetic ordering in the thallide Eu Pd Tl2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221508","13.1865","","17.6364","","8.1742","","90","","90","","90","","1901.01","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","(C H3)2 Au (P (C H3)3)2 Cl O4 (C H2 Cl2)","","- C9 H26 Au Cl3 O4 P2 -","- C9 H26 Au Cl3 O4 P2 -","- C36 H104 Au4 Cl12 O16 P8 -","4","0.25","","Schuster, O.; Schmidbaur, H.","Crystal structure and ligand mobility in solution ofcis-dimethyl-bis(trimethylphosphine)gold(III) complexes","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221509","11.6285","","19.771","","7.6701","","90","","90","","90","","1763.41","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(C H3)2 Au (P (C H3)3)2 I","","- C8 H24 Au I P2 -","- C8 H24 Au I P2 -","- C32 H96 Au4 I4 P8 -","4","0.25","","Schuster, O.; Schmidbaur, H.","Crystal structure and ligand mobility in solution ofcis-dimethyl-bis(trimethylphosphine)gold(III) complexes","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222395","5.523","","8.2565","","6.1583","","90","","90","","90","","280.822","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Garcia-Alvarado, F.; Alvarez-Vega, M.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Amador, U.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222396","5.358","","8.1272","","6.1241","","90","","90","","90","","266.677","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Ni (P O4)","","- Li Ni O4 P -","- Li Ni O4 P -","- Li4 Ni4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Alvarez-Vega, M.; Amador, U.; Garcia-Alvarado, F.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222462","3.9754","","14.1483","","16.857","","90","","90","","90","","948.125","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Dy2 S5 -","- Cs Cu3 Dy2 S5 -","- Cs4 Cu12 Dy8 S20 -","4","0.25","","Lauxmann, P.; Schleid, T.","Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der Lanthanoide mit Kanalstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1149","1154","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222464","3.9482","","14.109","","16.6717","","90","","90","","90","","928.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Er2 S5 -","- Cs Cu3 Er2 S5 -","- Cs4 Cu12 Er8 S20 -","4","0.25","","Lauxmann, P.; Schleid, T.","Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der Lanthanoide mit Kanalstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1149","1154","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222502","2.99205","","6.17821","","9.40031","","90","","90","","90","","173.77","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cu C N2","","- C Cu N2 -","- C Cu N2 -","- C4 Cu4 N8 -","4","0.25","","Liu, X; Wankeu, M.A.; Dronskowski, R.; Lueken, H.","A Novel Method for Synthesizing Crystalline Copper Carbodiimide, CuNCN. Structure Determination by X-Ray Rietveld Refinement","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","593","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222537","4.559","","13.766","","6.745","","90","","90","","90","","423.311","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","La Ge","","- Ge La -","- Ge La -","- Ge8 La8 -","8","0.5","","Mattausch, H.J.; Simon, A.","Eine neue Modifikation von Lanthanmonogermanid - IT-La Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","559","561","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222547","8.3143","","7.2983","","6.5197","","90","","90","","90","","395.617","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Li4 Pb O4","","- Li4 O4 Pb -","- Li4 O4 Pb -","- Li16 O16 Pb4 -","4","0.25","","Stoll, H.; Hoppe, R.","Eine Notiz ueber Li4 (Pb O4)1","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","566","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222567","4.0119","","9.265","","7.124","","90","","90","","90","","264.801","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mg Cu Al2","","- Al2 Cu Mg -","- Al2 Cu Mg -","- Al8 Cu4 Mg4 -","4","0.25","","Heying, B.; Hoffmann, R.; Poettgen, R.","Structure Refinement of the S-Phase Precipitate MgCuAl2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","491","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222748","4.01","","14.506","","6.366","","90","","90","","90","","370.304","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ba2 (Sb2 O5)","","- Ba2 O5 Sb2 -","- Ba2 O5 Sb2 -","- Ba4 O10 Sb4 -","2","0.125","","Emmerling, F.; Roehr, C.; Zimper, S.","Neue Barium-Oxoantimonate(III): Darstellung und Kristallstruktur von Ba3 (Sb O3)2 und Ba2 (Sb2 O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","503","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","164637","2020-10-21","18:00:00",""
"7222785","4.381","","10.093","","7.883","","90","","90","","90","","348.566","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm Rh In2","","- In2 Rh Sm -","- In2 Rh Sm -","- In8 Rh4 Sm4 -","4","0.25","","Zaremba, V.I.; Dubenskiy, V.P.; Poettgen, R.","Ternary Indides LnRhIn2 (Ln = La, Ce, Pr, Nd, Sm) with MgCuAl2 Type Structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","798","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222787","4.482","","10.257","","7.951","","90","","90","","90","","365.522","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Rh In2","","- In2 La Rh -","- In2 La Rh -","- In8 La4 Rh4 -","4","0.25","","Zaremba, V.; Dubenskiy, V.; Poettgen, R.","Ternary Indides LnRhIn2 (Ln = La, Ce, Pr, Nd, Sm) with MgCuAl2 Type Structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","798","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222789","4.4078","","18.343","","21.788","","90","","90","","90","","1761.61","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ce Ni In2","","- Ce In2 Ni -","- Ce In2 Ni -","- Ce20 In40 Ni20 -","20","1.25","","Zaremba, V.I.; Kal'ichak, Ya.M.; Poettgen, R.; Tyvanchuk, Yu.B.; Hoffmann, R.D.; Moeller, M.H.","Synthesis, Structure, and Magnetic Properties of CeNiIn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","791","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222797","4.433","","11.513","","8.06","","90","","90","","90","","411.359","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ba Ir In2","","- Ba In2 Ir -","- Ba In2 Ir -","- Ba4 In8 Ir4 -","4","0.25","","Riecken, J.F.; Poettgen, R.","Structure Refinement of Ba Ir In2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","118","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222824","4.424","","11.086","","7.384","","90","","90","","90","","362.144","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yb Pd Sn2","","- Pd Sn2 Yb -","- Pd Sn2 Yb -","- Pd4 Sn8 Yb4 -","4","0.25","","Kussmann, D.; Poettgen, R.","Synthesis and Structure of YbPdSn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","446","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222848","4.49","","7.87","","24.44","","90","","90","","90","","863.619","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Li9 Ge4","","- Ge4 Li9 -","- Ge4 Li9 -","- Ge16 Li36 -","4","0.25","","Hopf, V.; Schaefer, H.; Weiss, A.","Die Kristallstruktur der Phase Li9 Ge4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","653","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","165561","2020-10-21","18:00:00",""
"7223049","10.7595","0.0005","7.439","0.0006","10.089","0.0004","90","","90","","90","","807.52","0.08","295","2","295","2","","","6850000","","","","","5","C m c m","-C 2c 2","63","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.25","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.029","0.027","","","0.0622","0.0637","","","","","","1.053","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7224152","14.75","0.01","9.887","0.01","8.419","0.007","90","","90","","90","","1227.8","1.8","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.25","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0585","0.0556","","","0.1348","0.1372","","","","","","1.077","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7226121","4.697","0.0005","17.069","0.002","4.6127","0.0004","90","","90","","90","","369.81","0.07","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Bi2 Ca -","- Bi2 Ca -","- Bi8 Ca4 -","4","0.25","","Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T.","Superconductivity in CaBi2","Physical Chemistry Chemical Physics","2016","18","","21737","21745","10.1039/C6CP02856J","","","","","","0.1057","","","","","","","","","","","","","","","has coordinates,has Fobs","184841","2020-10-21","18:00:00",""
"7226304","10.813","0.005","7.792","0.004","7.363","0.004","90","","90","","90","","620.4","0.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Nb O7 Se2 -","- Ag Nb O7 Se2 -","- Ag4 Nb4 O28 Se8 -","4","0.25","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.0301","0.0294","","","0.0723","0.0726","","","","","","1.185","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7226305","10.7921","0.0011","7.8283","0.0007","7.2717","0.0006","90","","90","","90","","614.34","0.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag O7 Se2 Ta -","- Ag O7 Se2 Ta -","- Ag4 O28 Se8 Ta4 -","4","0.25","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.034","0.0292","","","0.0689","0.0727","","","","","","1.132","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7227032","14.43","0.009","10.33","0.009","8.417","0.007","90","","90","","90","","1254.7","1.7","273","2","273","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C20 H48 Cl4 N20 S12 -","- C20 H48 Cl4 N20 S12 -","- C20 H48 Cl4 N20 S12 -","1","0.0625","","Liu, Yu-Ling; Wang, Zhongxia; Han, Xiang-Bin; Sun, Yu-Ling; Pryor, Donald E.","Orientational ordering of guests induced structural phase transition coupled with switchable dielectric property in a host-guest crystal: bis(Thiourea) thiazolium chloride","RSC Adv.","2016","","","","","10.1039/C6RA23952H","","","0.71073","MoKα","","0.0728","0.0644","","","0.1861","0.1945","","","","","","1.128","","","","has coordinates","188350","2020-10-21","18:00:00",""
"7228333","5.3385","0.0002","8.1763","0.0003","6.3716","0.0002","90","","90","","90","","278.115","0.017","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","lithium cobalt phosphate","","","- Co0.96 Li0.39 O4 P -","- Co0.964 Li0.39 O4 P -","- Co3.856 Li1.56 O16 P4 -","4","0.25","","Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom","Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4","RSC Adv.","2017","7","45","28069","","10.1039/C7RA04043A","powder diffraction","x-ray","0.7093","MoKα1","","0.0143","0.0143","","0.0172","0.0172","","","","1.23","","","","","","","has coordinates","197019","2020-10-21","18:00:00",""
"7228334","5.4432","0.0003","8.1695","0.0004","6.2128","0.0003","90","","90","","90","","276.27","0.02","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","lithium cobalt phosphate","","","- Co0.96 Li0.94 O4 P -","- Co0.955 Li0.94 O4 P -","- Co3.82 Li3.76 O16 P4 -","4","0.25","","Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom","Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4","RSC Adv.","2017","7","45","28069","","10.1039/C7RA04043A","powder diffraction","x-ray","0.7093","MoKα1","","0.0106","0.0106","","0.0121","0.0121","","","","1.01","","","","","","","has coordinates","197019","2020-10-21","18:00:00",""
"7228450","26.457","0.005","6.0072","0.0012","21.021","0.004","90","","90","","90","","3340.9","1.1","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H18 Ba O6 P2 -","- C12 H18 Ba O6 P2 -","- C96 H144 Ba8 O48 P16 -","8","0.5","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0827","0.0685","","","0.1587","0.1663","","","","","","1.072","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7229050","17.872","0.003","26.479","0.005","15.968","0.003","90","","90","","90","","7557","2","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C50 H96 Co4 N5 Na O20 -","- C50 H96 Co4 N5 Na O20 -","- C200 H384 Co16 N20 Na4 O80 -","4","0.25","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0869","0.0586","","","0.1628","0.19","","","","","","1.052","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229053","11.659","0.004","13.089","0.004","9.589","0.004","90","","90","","90","","1463.3","0.9","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C24 H80 Ca4 Cl8 N8 O24 -","4","0.25","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.1007","0.0983","","","0.2476","0.249","","","","","","1.398","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229232","12.7549","0.0011","13.762","0.0011","21.742","0.002","90","","90","","90","","3816.4","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","1","","- C38 H28 Co2 N2 O14 S2 -","- C38 H28 Co2 N2 O14 S2 -","- C152 H112 Co8 N8 O56 S8 -","4","0.25","","Park, In-Hyeok; Herng, Tun Seng; Ju, Huiyeong; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Synthesis, structures and magnetic properties of isoreticular polyrotaxane-type two-dimensional coordination polymers","RSC Adv.","2017","7","72","45582","","10.1039/C7RA07637A","","","0.71073","MoKα","","0.1405","0.1187","","","0.2604","0.2696","","","","","","1.203","","","","has coordinates","201253","2020-10-21","18:00:00",""
"7229238","21.9686","0.0008","6.8017","0.0003","20.0238","0.0008","90","","90","","90","","2992","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H8 Co N6 O3 -","- C11 H8 Co N6 O3 -","- C88 H64 Co8 N48 O24 -","8","0.5","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0723","0.0539","","","0.1785","0.1957","","","","","","1.032","","","","has coordinates,has disorder","201255","2020-10-21","18:00:00",""
"7229302","24.6748","0.0011","33.5109","0.0015","18.4547","0.0011","90","","90","","90","","15259.7","1.3","140","2","140","2","","","","","","","","4","C m c m","-C 2c 2","63","HHU-4","HHU-4","","- C66 H30 Cu6 O33 -","- C66 H30 Cu6 O33 -","- C264 H120 Cu24 O132 -","4","0.25","","Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng","Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption","RSC Adv.","2017","7","75","47219","","10.1039/C7RA10369G","","","0.71073","MoKα","","0.15","0.0751","","","0.1828","0.2111","","","","","","1.021","","","","has coordinates,has disorder","201851","2020-10-21","18:00:00",""
"7230951","25.068","0.005","42.667","0.002","13.8078","0.0011","90","","90","","90","","14768","3","100.01","0.1","100.01","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C42 H18 O16 Zr3 -","- C42 H18 O16 Zr3 -","- C336 H144 O128 Zr24 -","8","0.5","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54184","CuKα","","0.101","0.0711","","","0.1909","0.216","","","","","","0.943","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7231630","23.1181","0.0018","8.8477","0.0008","18.8039","0.0012","90","","90","","90","","3846.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6.33 Eu O10.33 S -","- C8 H6.3332 Eu O10.3333 S -","- C64 H50.6656 Eu8 O82.6664 S8 -","8","0.5","","Yuan, Yue-Ying; Yang, Shuai-Liang; Zhang, Chen-Xi; Wang, Qing-Lun","A new europium metal‒organic framework with both high proton conductivity and highly sensitive detection of ascorbic acid","CrystEngComm","2018","20","43","6989","","10.1039/C8CE01506F","","","0.71073","MoKα","","0.0784","0.0639","","","0.2033","0.2194","","","","","","1.099","","","","has coordinates","228953","2020-10-21","18:00:00",""
"7231728","12.4476","0.0009","13.9099","0.0008","7.1","0.0005","90","","90","","90","","1229.33","0.14","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Ca O4 S -","- C12 H8 Ca O4 S -","- C48 H32 Ca4 O16 S4 -","4","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0544","0.0462","","","0.1593","0.1659","","","","","","1.05","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7233563","5.2847","0.0002","17.004","0.0013","12.0194","0.0009","90","","90","","90","","1080.08","0.12","295","0.1","295","0.1","","","","","","","","5","C m c m","-C 2c 2","63","dabco hydrochloride trihydrate","1,4diazabicyclo[2.2.2]octane hydrochloride trihydrate","","- C6 H19 Cl N2 O3 -","- C6 H17 Cl N2 O3 -","- C24 H68 Cl4 N8 O12 -","4","0.25","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.1248","0.092","","","0.2768","0.3148","","","","","","1.106","","","","has coordinates","217842","2020-10-21","18:00:00",""
"7233564","5.313","0.003","16.988","0.011","12.159","0.01","90","","90","","90","","1097.4","1.3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H19 Cl N2 O3 -","- C6 H19 Cl N2 O3 -","- C24 H76 Cl4 N8 O12 -","4","0.25","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.837","","","0.0692","0.0458","","","0.104","0.1166","","","","","","1.165","","","","has coordinates","217843","2020-10-21","18:00:00",""
"7234404","7.2645","0.0002","17.091","0.004","6.6772","0.0002","90","","90","","90","","829","0.2","328","2","328","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.25","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0343","0.0296","","","0.0853","0.0895","","","","","","1.018","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234405","7.196","0.0002","17.075","0.004","6.6494","0.0005","90","","90","","90","","817","0.2","253","2","253","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.25","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0272","0.0242","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7235032","9.6557","0.0019","16.827","0.003","7.3429","0.0015","90","","90","","90","","1193","0.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Cd Cl2 N2 O4 S -","- C6 H12 Cd Cl2 N2 O4 S -","- C24 H48 Cd4 Cl8 N8 O16 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0394","0.0376","","","0.2152","0.2222","","","","","","1.076","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235034","9.773","0.005","17.299","0.01","7.551","0.004","90","","90","","90","","1276.6","1.2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Br2 Cd N2 O3 S -","- C6 H12 Br2 Cd N2 O3 S -","- C24 H48 Br8 Cd4 N8 O12 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0679","0.0549","","","0.1687","0.1964","","","","","","1.241","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235035","9.752","0.007","17.244","0.012","7.521","0.005","90","","90","","90","","1264.8","1.5","223","2","223","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Br2 Cd N2 O4 S -","- C6 H12 Br2 Cd N2 O4 S -","- C24 H48 Br8 Cd4 N8 O16 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0903","0.0838","","","0.2475","0.2546","","","","","","1.973","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7236341","33.712","0.007","19.058","0.004","33.611","0.007","90","","90","","90","","21595","8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C136 H180 Cu8 I4 N24 O32 -","- C88 H68 Cu8 I4 N8 O16 -","- C352 H272 Cu32 I16 N32 O64 -","4","0.25","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.075","0.0492","","","0.1465","0.1575","","","","","","1.034","","","","has coordinates","235423","2020-10-21","18:00:00",""
"7236769","9.9932","0.0004","9.5392","0.0004","14.8097","0.0005","90","","90","","90","","1411.77","0.09","345","0.1","345","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 Br4 Fe N -","- C6 H14 Br4 Fe N -","- C24 H56 Br16 Fe4 N4 -","4","0.25","","Han, Shiguo; Zhang, Jing; Teng, Bing; Ji, Chengmin; Zhang, Weichuan; Sun, Zhihua; Luo, Junhua","Inorganic‒organic hybrid switchable dielectric materials with the coexistence of magnetic anomalies induced by reversible high-temperature phase transition","Journal of Materials Chemistry C","2017","5","33","8509","","10.1039/C7TC01085K","","","1.54178","CuKα","","0.0628","0.054","","","0.1477","0.1588","","","","","","1.024","","","","has coordinates","236497","2020-10-21","18:00:00",""
"7237112","4.6642","0.0006","15.3824","0.0018","13.1613","0.0016","90","","90","","90","","944.3","0.2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K Mg4 Sb3 -","- K Mg4 Sb3 -","- K4 Mg16 Sb12 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0303","0.022","","","0.038","0.0405","","","","","","1.1","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237113","13.124","0.003","7.8217","0.0016","13.235","0.003","90","","90","","90","","1358.6","0.5","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs2 Mg5 Sb4 -","- Cs2 Mg5 Sb4 -","- Cs8 Mg20 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.07","0.0447","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237114","13.047","0.011","7.813","0.007","13.084","0.012","90","","90","","90","","1334","2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mg5 Rb2 Sb4 -","- Mg5 Rb2 Sb4 -","- Mg20 Rb8 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0392","0.0259","","","0.0507","0.0566","","","","","","1.054","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7240300","20.26801","0.0005","9.53129","0.00021","7.35857","0.00015","90","","90","","90","","1421.53","0.06","298","","298","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C8.6 H10 Cu I2 N4.9 O0.9 -","- C8.5872 H10.0368 Cu I2 N4.4312 O0.862 -","- C34.3488 H40.1472 Cu4 I8 N17.7248 O3.448 -","4","0.25","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7241766","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","261626","2021-02-04","23:03:27",""
"7242585","7.3759","0.0003","10.9715","0.0005","10.2189","0.0003","90","","90","","90","","826.96","0.06","297","2","297","","","","","","","","","4","C m c m","-C 2c 2","63","","CaNi2(SeO3)3","","- Ca Ni2 O9 Se3 -","- Ca Ni2 O9 Se3 -","- Ca4 Ni8 O36 Se12 -","4","0.25","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0687","0.0697","","","","","","1.147","","","","has coordinates","265938","2021-06-05","18:06:53",""
"7243304","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7244706","29.643","0.006","18.639","0.004","27.125","0.005","90","","90","","90","","14987","5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C45 H40 Cu3 N3 O22.25 -","- C45 H40 Cu3 N3 O22.25 -","- C360 H320 Cu24 N24 O178 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0961","0.0746","","","0.2286","0.2501","","","","","","1.044","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7246280","25.162","0.004","13.623","0.002","14.286","0.002","90","","90","","90","","4897","1.3","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C51.3 H50.4 Cl2 N4 O12.2 -","- C51.3 H50.4 Cl2 N4 O12.2 -","- C205.2 H201.6 Cl8 N16 O48.8 -","4","0.25","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.1376","0.1359","","","0.4382","0.4501","","","","","","2.492","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246301","9.49808","","11.8868","","5.5944","","90","","90","","90","","631.618","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Chloride","","- Cl3 Cs Cu2 -","- Cl3 Cs Cu2 -","- Cl12 Cs4 Cu8 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0117","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246302","10.5479","","13.1725","","6.09718","","90","","90","","90","","847.156","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Iodide","","- Cs Cu2 I3 -","- Cs Cu2 I3 -","- Cs4 Cu8 I12 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:18",""
"7246303","9.87123","","12.3478","","5.81321","","90","","90","","90","","708.56","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Bromide","","- Br3 Cs Cu2 -","- Br3 Cs Cu2 -","- Br12 Cs4 Cu8 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0167","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:18",""
"7246423","4.2937","0.0003","14.2876","0.0009","11.1174","0.0007","90","","90","","90","","682.02","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Eu Lu Te3 -","- Cu Eu Lu Te3 -","- Cu4 Eu4 Lu4 Te12 -","4","0.25","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0384","0.0297","","","0.0646","0.0671","","","","","","1.115","","","","has coordinates","282336","2023-04-04","10:16:40",""
"7246438","7.2885","0.0002","39.4434","0.001","7.2884","0.0002","90","","90","","90","","2095.29","0.1","300","2","300","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0178","0.0134","","","0.0295","0.032","","","","","","1.078","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246439","7.597","0.002","41.001","0.011","7.583","0.002","90","","90","","90","","2362","1.1","300","2","299.85","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl14.52 Ga16 I1.48 Na32 Se32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0439","0.0402","","","0.1121","0.1173","","","","","","1.145","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7247595","6.6173","0.0006","13.6049","0.0011","20.3294","0.0017","90","","90","","90","","1830.2","0.3","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","0.25","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0403","0.0389","","","0.1129","0.1149","","","","","","1.101","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7700392","24.7465","0.0012","33.4859","0.0014","18.4434","0.0008","90","","90","","90","","15283.3","1.2","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C37 H52 Cu2 N6 O17 -","- C22 H15 Cu2 N O11 -","- C264 H180 Cu24 N12 O132 -","12","0.75","","He, Minghui; Xia, Fengjie; Xu, Tingting; Gao, Xiaoxia; Jiang, Zhenzhen; Wang, Xia; He, Yabing","A lactam-functionalized copper bent diisophthalate framework displaying significantly enhanced adsorption of CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> over CH<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11374","11381","10.1039/c9dt01778j","","","1.54178","CuKα","","0.0875","0.0688","","","0.2074","0.2255","","","","","","1.079","","","","has coordinates","224345","2020-10-21","18:00:00",""
"7701573","7.42563","0.00015","8.08086","0.00015","8.19595","0.00008","90","","90","","90","","491.802","0.014","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","Potassium_octahydridoborate","","","- B3 H8 K -","- B3 H8 K -","- B12 H32 K4 -","4","0.25","","Grinderslev, Jakob B.; Møller, Kasper T; Yan, Yigang; Chen, Xi-Meng; Li, Yongtao; Li, Hai-Wen; Zhou, Wei; Skibsted, Jørgen; Chen, Xuenian; Jensen, Torben R.","Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8872","8881","10.1039/c9dt00742c","powder diffraction","","","synchrotron","","","","","","","","","7.8209","12.5098","","","","","","","has coordinates","223303","2020-10-21","18:00:00",""
"7701608","10.1186","0.0005","19.086","0.001","6.9839","0.0005","90","","90","","90","","1348.76","0.14","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H11 N3 O7 Zn -","- C9 H11 N3 O7 Zn -","- C36 H44 N12 O28 Zn4 -","4","0.25","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0453","0.0395","","","0.0927","0.0965","","","","","","1.049","","","","has coordinates","223319","2020-10-21","18:00:00",""
"7701856","6.991","0.003","15.91","0.007","9.698","0.004","90","","90","","90","","1078.7","0.8","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba3 Ga I S4 -","- Ba3 Ga I S4 -","- Ba12 Ga4 I4 S16 -","4","0.25","","Li, Meng-Yue; zhang, yu xiao; Lin, Hua; Ma, Zuju; Wu, Xintao; Zhu, Qi-Long","Combined experimental and theoretical investigations of Ba3GaS4I: interesting structure transformation originated from the halogen substitution","Dalton Transactions","2019","","","","","10.1039/C9DT04033A","","","0.71073","MoKα","","0.0165","0.0153","","","0.0312","0.0316","","","","","","1.151","","","","has coordinates","225407","2020-10-21","18:00:00",""
"7704163","13.1049","0.0007","7.6167","0.0011","9.4788","0.0008","90","","90","","90","","946.14","0.17","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Ca2 Pt3 -","- Al9 Ca2 Pt3 -","- Al36 Ca8 Pt12 -","4","0.25","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0554","0.0166","","","0.0302","0.0387","","","","0.98","0.98","0.84","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704166","12.955","0.0003","7.5834","0.0005","9.6175","0.0004","90","","90","","90","","944.85","0.08","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Ca2 Ir3 -","- Al9 Ca2 Ir3 -","- Al36 Ca8 Ir12 -","4","0.25","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0508","0.0214","","","0.0458","0.0496","","","","1.45","1.45","1.11","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704850","6.9491","0.0006","14.9073","0.0012","10.6201","0.0009","90","","90","","90","","1100.16","0.16","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Na2 O11 P2 Y2 -","- B Cs Na2 O11 P2 Y2 -","- B4 Cs4 Na8 O44 P8 Y8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0207","0.0197","","","0.0478","0.0481","","","","","","1.163","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704851","6.875","0.0005","14.6919","0.001","10.5581","0.0007","90","","90","","90","","1066.44","0.13","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Lu2 Na2 O11 P2 -","- B Cs Lu2 Na2 O11 P2 -","- B4 Cs4 Lu8 Na8 O44 P8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0367","0.0371","","","","","","1.178","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704852","7.0291","0.0006","15.1435","0.0013","10.6895","0.0009","90","","90","","90","","1137.85","0.17","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Gd2 Na2 O11 P2 -","- B Cs Gd2 Na2 O11 P2 -","- B4 Cs4 Gd8 Na8 O44 P8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0194","0.018","","","0.0399","0.0403","","","","","","1.119","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704960","4.527","0.0009","10.633","0.002","8.1096","0.0016","90","","90","","90","","390.36","0.13","293","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au La Mg2 -","- Au La Mg2 -","- Au4 La4 Mg8 -","4","0.25","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0187","0.0178","","","0.0419","0.0422","","","","","","1.058","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7705278","14.307","0.003","11.256","0.002","20.349","0.004","90","","90","","90","","3277","1.1","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C29 H25 Mo N7 -","- C29 H25 Mo N7 -","- C116 H100 Mo4 N28 -","4","0.25","","Cha, Jeongmin; Kwon, Hyunchul; Song, Hayoung; Lee, Eunsung","Dinitrogen activation by a penta-pyridyl molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12945","12949","10.1039/d0dt02692a","","","0.7","Synchrotron","","0.0578","0.0567","","","0.154","0.1546","","","","","","1.118","","","","has coordinates,has disorder","257517","2020-10-21","18:00:00",""
"7705416","5.450469","0.000016","12.81464","0.00004","6.36732","0.00002","90","","90","","90","","444.731","0.002","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C I N O Sr -","- C I N O Sr -","- C4 I4 N4 O4 Sr4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","1.8435","1.0169","","","","","","","has coordinates","258846","2020-11-06","12:17:23",""
"7705417","5.69275","0.00002","13.19368","0.00007","6.65023","0.00003","90","","90","","90","","499.488","0.004","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Ba I N O -","- C Ba I N O -","- C4 Ba4 I4 N4 O4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","3.6598","1.0123","","","","","","","has coordinates","258846","2020-11-06","12:17:24",""
"7705419","5.44922","0.00003","12.7753","0.00008","6.33545","0.00004","90","","90","","90","","441.045","0.005","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Eu I N O -","- C Eu I N O -","- C4 Eu4 I4 N4 O4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.8924","1.1449","","","","","","","has coordinates","258846","2020-11-06","12:17:25",""
"7706148","8.3092","0.0005","7.5086","0.0005","21.5925","0.0017","90","","90","","90","","1347.17","0.16","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.025","0.024","","","0.0555","0.0559","","","","","","1.229","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706150","8.306","0.0005","7.4959","0.0005","21.5814","0.0017","90","","90","","90","","1343.68","0.16","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0288","0.0269","","","0.0616","0.0623","","","","","","1.235","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706395","17.597","0.003","10.83","0.002","11.8313","0.0018","90","","90","","90","","2254.8","0.7","100.15","","100.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C17 H6 Br2 Mn2 N4 O7 -","- C17 H6 Br2 Mn2 N4 O7 -","- C68 H24 Br8 Mn8 N16 O28 -","4","0.25","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","1.54178","CuKα","","0.1106","0.0616","","","0.1333","0.1538","","","","","","1.065","","","","has coordinates,has disorder","262597","2021-03-05","01:52:28",""
"7706400","17.6165","0.0008","10.9052","0.0005","11.824","0.0006","90","","90","","90","","2271.53","0.19","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C17 H12 Br2 Mn N4 O7 Re -","- C17 H12 Br2 Mn N4 O7 Re -","- C68 H48 Br8 Mn4 N16 O28 Re4 -","4","0.25","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","0.71073","MoKα","","0.0448","0.0286","","","0.0489","0.0519","","","","","","1.06","","","","has coordinates,has disorder","262597","2021-03-05","01:52:36",""
"7707316","8.963","0.0002","11.3476","0.0003","11.2907","0.0003","90","","90","","90","","1148.36","0.05","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","Na2Pb9Te4O22","","- Na2 O22 Pb9 Te4 -","- Na2 O22 Pb9 Te4 -","- Na4 O44 Pb18 Te8 -","2","0.125","","Li, Han-Ying; Lii, Kwang-Hwa","Hydrothermal synthesis, crystal structures, and X-ray photoelectron spectroscopy of lead tellurium(IV) and tellurium(VI) oxycompounds: Ba<sub>3</sub>PbTe<sub>6</sub>O<sub>16</sub> and Na<sub>2</sub>Pb<sub>9</sub>(μ<sub>6</sub>-O)<sub>2</sub>(Te<sub>2</sub>O<sub>10</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8189","8195","10.1039/d1dt00566a","","","0.71073","MoKα","","0.0369","0.0355","","","0.0985","0.0993","","","","","","1.125","","","","has coordinates","267195","2021-07-05","17:44:23",""
"7707675","7.1678","0.0002","34.073","0.0008","11.089","0.0002","90","","90","","90","","2708.25","0.11","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba0.88 Na1.25 P5 Si3 -","- Ba0.8728 Na1.25367 P5 Si3 -","- Ba10.4736 Na15.044 P60 Si36 -","12","0.75","","Haffner, Arthur; Zeman, Otto E. O.; Bräuniger, Thomas; Johrendt, Dirk","Supertetrahedral anions in the phosphidosilicates Na<sub>1.25</sub>Ba<sub>0.875</sub>Si<sub>3</sub>P<sub>5</sub> and Na<sub>31</sub>Ba<sub>5</sub>Si<sub>52</sub>P<sub>83</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9123","9128","10.1039/d1dt01234g","","","0.71073","MoKα","","0.0292","0.0278","","","0.0665","0.0675","","","","","","1.109","","","","has coordinates","268774","2021-09-06","11:15:10",""
"7707810","5.411","0.004","15.201","0.012","12.681","0.01","90","","90","","90","","1043","1.4","273","2","273.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- F6 H4 Mg N O6 P3 -","- F6 H4 Mg N O6 P3 -","- F24 H16 Mg4 N4 O24 P12 -","4","0.25","","Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie","From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH<sub>4</sub>)<sub><i>n</i>-2</sub>AE(PO<sub>2</sub>F<sub>2</sub>)<sub><i>n</i></sub> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10206","10213","10.1039/d1dt00698c","","","0.71073","MoKα","","0.0628","0.0549","","","0.145","0.1513","","","","","","1.122","","","","has coordinates","268706","2021-09-06","10:53:09",""
"7707845","7.2752","0.0003","39.3001","0.0003","7.2759","0.0003","90","","90","","90","","2080.3","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Li, Xiaoshuang; Liang, Fei; Liu, Tianpeng; Li, Haifeng","Na<sub>2</sub>GaS<sub>2</sub>Cl: a new sodium-rich chalcohalide with two-dimensional [GaS<sub>2</sub>]<sub>∞</sub> layers and wide interlayer space.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11167","11172","10.1039/d1dt01099a","","","0.71073","MoKα","","0.0715","0.053","","","0.1271","0.1404","","","","","","1.214","","","","has coordinates","268733","2021-09-06","11:03:09",""
"7709761","15.1297","0.0007","7.1034","0.0003","6.6093","0.0002","90","","90","","90","","710.32","0.05","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","","catena-[bis(μ-azido)(μ-pyrazine)cobalt (II)]~n~","","- C4 H4 Co N8 -","- C4 H4 Co N8 -","- C16 H16 Co4 N32 -","4","0.25","","Setifi, Zouaoui; Setifi, Fatima; Benmansour Souilamas, Samia; Liu, Xiangyu; Mague, Joel T.; Gomez Garcia, Carlos J.; Konieczny, Piotr; Reedijk, Jan","A rare example of a double metamagnetic transition leading to 2D and 3D long-range order in the two-dimensional pyrazine- and azido-bridged cobalt(II) compound [Co(pyz)(N3)2]","Dalton Transactions","2022","","","","","10.1039/D2DT00294A","","","1.54178","CuKα","","0.0385","0.0353","","","0.0898","0.0923","","","","","","1.104","","","","has coordinates","273710","2022-03-16","00:00:10",""
"7711658","21.5535","0.0017","21.0599","0.0007","21.357","0.0014","90","","90","","90","","9694.3","1","173","","173","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C55 H54 Cl Co F2 N3 O3 Re -","- C55 H54 Cl Co F2 N3 O3 Re -","- C440 H432 Cl8 Co8 F16 N24 O24 Re8 -","8","0.5","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","x-ray","1.54178","CuKα","","0.0971","0.0619","","","0.1433","0.1615","","","","","","1.026","","","","has coordinates,has disorder","278892","2022-11-01","09:18:20",""
"7711975","2.86201","0.00002","7.07401","0.00006","14.5969","0.0001","90","","90","","90","","295.527","0.004","298","","298","","","","","","","","","2","C m c m","-C 2c 2","63","Mo3N5","molybdenum nitride","","- Mo3 N5 -","- Mo3 N5 -","- Mo12 N20 -","4","0.25","","Sasaki, Takuya; Yamamoto, Takuro; Asano, Shuto; Niwa, Ken; Hasegawa, Masashi","High-pressure synthesis and crystal structures of molybdenum nitride Mo<sub>3</sub>N<sub>5</sub> with anisotropic compressibility by a nitrogen dimer.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","469","475","10.1039/d2dt03433f","powder diffraction","","0.74977","synchrotron","","0.00416","","","","","","0.00421","0.01074","0.087","","","","","","","has coordinates","283292","2023-05-05","02:11:29",""
"7712410","2.8906","0.0001","9.8024","0.0003","12.5804","0.0004","90","","90","","90","","356.46","0.02","296","2","296.15","","","","","","","","","2","C m c m","-C 2c 2","63","iron(II, III) oxide","dioxo(oxoferriooxy)iron","","- Fe4 O5 -","- Fe4 O5 -","- Fe16 O20 -","4","0.25","","Ovsyannikov, Sergey; Kar'kin, Alexander Evgenievitch; Korobeinikov, Igor; Morozova, Natalia Vladimirovna; Bykov, Maxim; Bykova, Elena; Wilhelm, Fabrice; Rogalev, Andrei; Dubrovinsky, Leonid","Electronic properties of single-crystalline Fe4O5","Dalton Transactions","2023","","","","","10.1039/D3DT00381G","","","0.71073","MoKα","","0.0321","0.0257","","","0.061","0.0631","","","","","","1.166","","","","has coordinates","281141","2023-02-25","08:40:55",""
"7712525","8.992","0.0014","17.951","0.004","8.1262","0.0011","90","","90","","90","","1311.7","0.4","416.15","","416.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H14 I6 N4 Pb2 S2 -","- C5 H14 I6 N3 Pb2 S2 -","- C10 H28 I12 N6 Pb4 S4 -","2","0.125","","Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3815","3820","10.1039/d2dt03526j","","","0.71073","MoKα","","0.1056","0.0872","","","0.2707","0.2945","","","","","","1.093","","","","has coordinates,has disorder","283330","2023-05-05","02:35:46",""
"7714342","15.664","0.002","16.4106","0.0019","21.309","0.002","90","","90","","90","","5477.6","1.1","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C56 H38 Ag In O8 P2 S4 -","- C56 H38 Ag In O8 P2 S4 -","- C224 H152 Ag4 In4 O32 P8 S16 -","4","0.25","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","x-ray","0.71073","MoKα","","0.1421","0.0994","","","0.1783","0.2061","","","","","","1.054","","","","has coordinates,has disorder","287169","2023-10-30","23:55:11",""
"7715592","8.2929","0.0002","7.5535","0.0002","21.7496","0.0007","90","","90","","90","","1362.4","0.07","360.01","0.1","360.15","","","","","","","","","5","C m c m","-C 2c 2","63","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0369","0.0233","","","0.0459","0.0502","","","","","","1.131","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29",""
"7715593","8.2959","0.0015","7.4918","0.0015","21.829","0.006","90","","90","","90","","1356.7","0.5","340","0.1","340.15","","","","","","","","","5","C m c m","-C 2c 2","63","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0429","0.0343","","","0.0831","0.0913","","","","","","1.151","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29",""
"8000067","17.2496","0.0007","18.5822","0.0007","6.4537","0.0002","90","","90","","90","","2068.64","0.13","173.1","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H16 N4 O8 Pt -","- C14 H8 N4 O8 Pt -","- C56 H32 N16 O32 Pt4 -","4","0.25","","Masako Kato; Shinobu Kishi; Yuki Wakamatsu; Yoshiko Sugi; Yoko Osamura; Tamami Koshiyama; Miki Hasegawa","Outstanding Vapochromism and pH-dependent Coloration of Dicyano(4,4'- dicarboxy-2,2'-bipyridine)platinum(II) with a Three-dimensional Network Structure","Chemistry Letters","2005","34","10","1368","","10.1246/cl.2005.1368","","","0.7107","MoKα","","","0.03","","","","0.1","","","","","","1.258","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100032","3.858","0.002","10.77","0.002","14.325","0.003","90","","90","","90","","595.2","0.4","293","","293.15","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Bi Zr -","- Bi Zr -","- Bi12 Zr12 -","12","0.75","","Boström, Magnus; Prots, Yurii; Grin, Yuri","Refinement of the crystal structure of zirconium monobismuthide, ZrBi","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","3","4","","","","","","","","","","","","","","","","2.96","2.96","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100085","7.4297","0.0006","17.2341","0.0011","8.0121","0.0006","90","","90","","90","","1025.9","0.13","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl10 Cr2 Cs4 H4 O2 -","- Cl10 Cr2 Cs4 H4 O2 -","- Cl20 Cr4 Cs8 H8 O4 -","2","0.125","","Mi, Jin-Xiao; Zhou, Xi; Zhang, Hui; Mao, Shao-Yu; Zhao, Jing-Tai","Crystal structure of dicesium aquapentachlorochromate(III), Cs~2~ [CrCl~5~(H~2~O)]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100088","4.5767","0.001","19.534","0.004","7.2229","0.0015","90","","90","","90","","645.7","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Eu2 Ge3 Li1.16 Mg0.84 -","- Eu2 Ge3 Li1.16 Mg0.84 -","- Eu8 Ge12 Li4.64 Mg3.36 -","4","0.25","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of dieuropium and distrontium di(lithium, magnesium) trigermanide, M~2~Li~x~Mg~2‒x~Ge~3~ (M = Eu, x = 1.16; M = Sr, x = 0.94)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","83","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100089","4.6357","0.0003","19.7034","0.0014","7.3239","0.0005","90","","90","","90","","668.96","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ge3 Li0.94 Mg1.06 Sr2 -","- Ge3 Li0.942 Mg1.058 Sr2 -","- Ge12 Li3.768 Mg4.232 Sr8 -","4","0.25","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of dieuropium and distrontium di(lithium, magnesium) trigermanide, M~2~Li~x~Mg~2‒x~Ge~3~ (M = Eu, x = 1.16; M = Sr, x = 0.94)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","83","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100093","4.0948","0.0006","15.582","0.003","6.61","0.001","90","","90","","90","","421.8","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al4 Ni Sm -","- Al4 Ni Sm -","- Al16 Ni4 Sm4 -","4","0.25","","Fornasini, Maria L.; Raggio, Riccardo; Borzone, Gabriella","Crystal structure of samarium nickel tetraaluminide, SmNiAl~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","75","76","","","","","","","","0.0282","","","0.0736","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100416","4.6179","0.0005","19.488","0.002","7.1618","0.0008","90","","90","","90","","644.53","0.12","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Li Mg Si3 Sr2 -","- Li0.996 Mg1.004 Si3 Sr2 -","- Li3.984 Mg4.016 Si12 Sr8 -","4","0.25","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of distrontium lithium magnesium trisilicide, Sr~2~(Li~x~Mg~2-x~)Si~3~ (x = 1)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","289","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100417","4.828","0.001","11.309","0.003","4.124","0.001","90","","90","","90","","225.17","0.09","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge Na0.14 Sr0.86 -","- Ge Na0.141 Sr0.859 -","- Ge4 Na0.564 Sr3.436 -","4","0.25","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of sodium strontium monogermanide, Na~x~Sr1~‒x~Ge (x = 0.14)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","291","292","10.1524/ncrs.2003.218.3.291","","","","","","","","","","","","","","","","","","","","","has coordinates","190340","2020-10-21","18:00:00",""
"8100985","19.522","0.004","7.121","0.001","18.813","0.004","90","","90","","90","","2615.3","0.9","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Dilead tritellurate IV","","","- O8 Pb2 Te3 -","- O8 Pb2 Te3 -","- O96 Pb24 Te36 -","12","0.75","","Champarnaud-Mesjard, Jean-Claude; Thomas, Philippe; Colas-Dutreilh, Maggy; Oufkir, Abdelrhani","Crystal structure of dilead tritellurate (IV), Pb~2~Te~3~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","185","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101055","3.8956","0.0009","11.373","0.004","5.685","0.002","90","","90","","90","","251.9","0.1","293","2","293","2","","","","","","","","3","C m c m","","63","sodiumoxoaurate(III)","","","- Au Na O2 -","- Au Na O2 -","- Au4 Na4 O8 -","4","0.25","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of sodium aurate(III), NaAuO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","326","326","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101602","4.727","0.003","11.131","0.008","3.989","0.003","90","","90","","90","","209.8","0.3","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca0.3 Si Sr0.7 -","- Ca0.304 Si Sr0.696 -","- Ca1.216 Si4 Sr2.784 -","4","0.25","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of two strontium calcium monosilicides, Sr~0.7~Ca~0.3~Si and Sr~0.19~Ca~0.81~Si","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","415","416","","","","","","","","0.0218","","","0.0534","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101603","4.614","0.002","10.865","0.005","3.924","0.002","90","","90","","90","","196.7","0.2","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca0.81 Si Sr0.19 -","- Ca0.807 Si Sr0.193 -","- Ca3.228 Si4 Sr0.772 -","4","0.25","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of two strontium calcium monosilicides, Sr~0.7~Ca~0.3~Si and Sr~0.19~Ca~0.81~Si","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","415","416","","","","","","","","0.0125","","","0.0305","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101656","3.717","0.003","14.011","0.009","9.766","0.006","90","","90","","90","","509","1","294","","294","","","","","","","","","4","C m c m","","","","","","- Cu Hf K S3 -","- Cu Hf K S3 -","- Cu4 Hf4 K4 S12 -","4","0.25","","Klepp, O. Kurt; Sturmayr, Dietmar","Crystal structure of kalium copper trithiohafnate(IV), KCuHfS~3~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","693","693","","","","","","","","0.033","","","0.028","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101657","13.077","0.004","9.51","0.001","7.137","0.001","90","","90","","90","","887.6","0.5","294","","294","","","","","","","","","3","C m c m","","","","","","- Cs2 Se3 Zr -","- Cs2 Se3 Zr -","- Cs8 Se12 Zr4 -","4","0.25","","Klepp, O. Kurt; Kolb, Andreas","Crystal structure of dicaesium triselenozirconate(IV), Cs~2~ZrSe~3~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","694","694","","","","","","","","0.018","","","0.021","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102602","6.773","","9.132","","21.691","","90","","90","","90","","1341.61","","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","not measured","2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene— 1,4-dioxane (1:1), C~8~H~2~Cl~2~N~2~O~2~ . C~4~H~8~O~2~","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C48 H40 Cl8 N8 O16 -","4","0.25","","Wei-Qiu","Crystal structure of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene — 1,4-dioxane (1:1), C8H2Cl2N2O2 · C4H8O2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","95","","","","","0.71073","MoKα","","0.0695","0.0299","","","0.0573","0.0632","","","","","","0.935","","","","has coordinates,has disorder","201369","2020-10-21","18:00:00",""
"8103009","8.4551","0.0006","22.7312","0.0016","15.3332","0.0011","90","","90","","90","","2947","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- H15.72 K2.57 Mo8 N2.43 O32 P -","- K2.567 Mo8 N2.433 O32 P -","- K10.268 Mo32 N9.732 O128 P4 -","4","0.25","","Shuang Chen; Stefan Hoffmann; Yurii Prots; Jing-Tai Zhao; Rüdiger Kniep","Crystal structure of potassium ammonium molybdato phosphate, K5-x(NH4)xP[Mo4O14(OH)]2 · 2H2O (x = 2.43)","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","15","","","","","0.71073","MoKα","","0.071","0.048","","","0.095","0.105","","","","","","1.178","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103027","4.4789","0.0002","10.3679","0.0005","11.9634","0.0008","90","","90","","90","","555.54","0.05","293","2","295.15","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Si6 -","- Ba Si6 -","- Ba4 Si24 -","4","0.25","","Aron Wosylus; Roman Demchyna; Yurii Prots; Walter Schnelle; Ulrich Schwarz","Refinement of the crystal structure of barium hexasilicide, BaSi6","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","347","","","","","0.7107","MoKα","","","0.04","","","","0.073","","","","","","1.555","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103267","10.193","0.002","8.1675","0.0016","10.375","0.002","90","","90","","90","","863.7","0.3","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","tri-ytterbium penta-stannide","","- Sn5 Yb3 -","- Sn5 Yb3 -","- Sn20 Yb12 -","4","0.25","","Ming-Hui Ge; John D. Corbett","Crystal structure of triytterbium pentastannide, Sn5Yb3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","445","","","","","0.71073","MoKα","","0.0328","0.0321","","","0.0801","0.0805","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103269","4.0578","0.0001","10.3639","0.0003","6.9592","0.0002","90","","90","","90","","292.667","0.014","","","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca4 Ga8 Ni4 -","- Ca Ga2 Ni -","- Ca4 Ga8 Ni4 -","4","0.25","","Olga Sichevych; Yurii Prots; Walter Schnelle; Yuri Grin","Crystal structure of calcium nickel digallide, CaNiGa2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","439","","","","","0.71073","MoKα","","","0.032","","","","0.028","","","","","","1.188","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103391","4.06","","6.66","","7.99","","90","","90","","90","","216.046","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag Cu S -","- Ag Cu S -","- Ag4 Cu4 S4 -","4","0.25","","Frueh, A.J.jr.","The crystal structure of stromeyerite, Ag Cu S : A possible defect structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1955","106","","299","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103396","9.813","","7.694","","5.964","","90","","90","","90","","450.289","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Ag P)","","- Ag K2 P -","- Ag K2 P -","- Ag4 K8 P4 -","4","0.25","","Somer, M.; Asbrand, M.; Eisenmann, B.","Crystal structure of dipotassium catena-phosphidoargentate(I): K2 (Ag P)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","78","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103428","6.782","","8.332","","6.744","","90","","90","","90","","381.087","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Rb (Au Se)","","- Au Rb Se -","- Au Rb Se -","- Au4 Rb4 Se4 -","4","0.25","","Klepp, K.O.; Weithaler, C.","Crystal structure of rubidiumselenoaurate(I), Rb Au Se","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","549","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103572","12.642","","14.545","","11.833","","90","","90","","90","","2175.83","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs2 Sr (N3)4","","- Cs2 N12 Sr -","- Cs2 N12 Sr -","- Cs16 N96 Sr8 -","8","0.5","","Krischner, H.; Maier, H.E.; Baumgartner, O.","Die Kristallstruktur des Cs2 Sr (N3)4","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103733","7.085","","6.526","","7.048","","90","","90","","90","","325.876","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na (Cl O4)","","- Cl Na O4 -","- Cl Na O4 -","- Cl4 Na4 O16 -","4","0.25","","Wartchow, R.; Berthold, H.J.","Crystal structure of sodium perchlorate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","147","","307","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103856","5.2985","","7.911","","6.3473","","90","","90","","90","","266.056","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ti P O4","","- O4 P Ti -","- O4 P Ti -","- O16 P4 Ti4 -","4","0.25","","Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten wasserfreier Phosphate: VI. Einkristallstrukturverfeinerung der Metall(III)-orthophosphate TiPO4 und VPO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","41","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103857","5.2316","","7.7738","","6.2847","","90","","90","","90","","255.595","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","V P O4","","- O4 P V -","- O4 P V -","- O16 P4 V4 -","4","0.25","","Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten wasserfreier Phosphate: VI. Einkristallstrukturverfeinerung der Metall(III)-orthophosphate TiPO4 und VPO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","41","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104089","4.39","","10.644","","7.673","","90","","90","","90","","358.537","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu In2 Ni -","- Eu In2 Ni -","- Eu4 In8 Ni4 -","4","0.25","","Kal'ichak, Ya.M.; Stepien-Damm, J.; Galadzhun, Ya.V.","Crystal structure of europium nickel diindide, EuNiIn2.","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","292","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104215","4.57","","12.92","","5.24","","90","","90","","90","","309.393","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tl I","","- I Tl -","- I Tl -","- I4 Tl4 -","4","0.25","","Helmholz, L.","The crystal structure of the low temperature modification of thallous iodide.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","129","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104328","4.033","","13.343","","60.022","","90","","90","","90","","3229.92","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Bi41.88 Pb9.32 S76 -","- Bi41.88 Pb9.32 S76 -","- Bi41.88 Pb9.32 S76 -","1","0.0625","","Takeuchi, Y.; Takagi, J.; Ozawa, T.","Tropochemical cell-twinning and the 60-A-structure of phase V in the Pb S - Bi2 S3 system","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1979","150","","75","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104433","13.507","","13.363","","11.034","","90","","90","","90","","1991.57","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na4 (Ge4 Se10)","","- Ge4 Na4 Se10 -","- Ge4 Na4 Se10 -","- Ge16 Na16 Se40 -","4","0.25","","Eisenmann, B.; Hansa, J.","Crystal structure of tetrasodium decaselenidotetragermanate","Zeitschrift fuer Kristallographie (149,1979-)","1993","205","","325","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","173860","2020-10-21","18:00:00",""
"8104464","4.112","","11.69","","4.338","","90","","90","","90","","208.525","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Tl0.333 Pb0.333 Sb0.333) S","","- Pb0.333 S Sb0.333 Tl0.333 -","- Pb0.333 S Sb0.333 Tl0.333 -","- Pb1.332 S4 Sb1.332 Tl1.332 -","4","0.25","","Balic-Zunic, T.; Bente, K.; Edenharter, A.","Crystal structure of thallium lead antimony sulfide","Zeitschrift fuer Kristallographie (149,1979-)","1992","202","","145","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104510","4.033","","10.884","","4.287","","90","","90","","90","","188.179","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm (Pt0.53 Ge0.47)","","- Ge0.47 Pt0.53 Sm -","- Ge0.47 Pt0.53 Sm -","- Ge1.88 Pt2.12 Sm4 -","4","0.25","","Prots', Yu.M.; Bodak, O.I.; Pecharskii, V.K.; Salamakha, P.S.; Seropegin, Yu.D.","Crystal structure of samarium platinum germanide","Zeitschrift fuer Kristallographie (149,1979-)","1993","206","","109","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104513","6.43","","13.648","","5.644","","90","","90","","90","","495.298","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Ni P2)","","- K2 Ni P2 -","- K2 Ni P2 -","- K8 Ni4 P8 -","4","0.25","","Somer, M.; Hartweg, M.; Peters, K.; von Schnering, H.G.","Crystal structure of potassium catena-di-mue-phosphidoniccolate","Zeitschrift fuer Kristallographie (149,1979-)","1990","193","","291","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104514","6.6065","","13.867","","5.7452","","90","","90","","90","","526.331","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Ni As2)","","- As2 K2 Ni -","- As2 K2 Ni -","- As8 K8 Ni4 -","4","0.25","","Somer, M.; Hartweg, M.; Peters, K.; von Schnering, H.G.","Crystal structure of potassium catena-di-mue-arsenidoniccolate","Zeitschrift fuer Kristallographie (149,1979-)","1990","193","","293","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104529","4.0402","0.0005","9.889","0.001","6.824","0.002","90","","90","","90","","272.64","0.09","","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 Ni Yb -","- Al2 Ni Yb -","- Al8 Ni4 Yb4 -","4","0.25","","E. Parthe; R. E. Gladyshevskii","Crystal structure of ytterbium nickel dialuminium, YbNiAl2 with MgCuAl2 type","Zeitschrift fur Kristallographie - Crystalline Materials","1992","199","","316","317","10.1524/zkri.1992.199.14.316","","x-ray","0.71069","MoKα","","","","","","0.035","","","","","","","","","","","has coordinates","197804","2020-10-21","18:00:00",""
"8104533","5.0566","0.0004","12.1796","0.0015","4.2985","0.0004","90","","90","","90","","264.73","0.05","502","2","502","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba D0.1 Ge -","- Ba D0.095 Ge -","- Ba4 D0.38 Ge4 -","4","0.25","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","0.049","2.04","","","","","","","has coordinates","211344","2020-10-21","18:00:00",""
"8104541","5.2272","0.0006","12.936","0.0015","4.6397","0.0006","90","","90","","90","","313.73","0.07","478","","478","","5200","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba D0.19 Sn -","- Ba D0.188 Sn -","- Ba4 D0.752 Sn4 -","4","0.25","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","11.3652","2.6858","","","","","","","has coordinates","211346","2020-10-21","18:00:00",""
"9000482","15.677","","7.15","","14.209","","90","","90","","90","","1592.69","","","","","","","","","","","","","9","C m c m","-C 2c 2","63","","","Pellyite","- Al0.2 Ba2 Ca Fe1.48 Mg0.22 Mn0.18 O17 Si5.8 Zn0.12 -","- Al0.2 Ba2 Ca Fe1.48 Mg0.22 Mn0.18 O17 Si5.8 Zn0.12 -","- Al0.8 Ba8 Ca4 Fe5.92 Mg0.88 Mn0.72 O68 Si23.2 Zn0.48 -","4","0.25","","Meagher, E. P.","The atomic arrangement of pellyite: Ba2Ca(Fe,Mg)2Si6O17","American Mineralogist","1976","61","","67","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000769","9.049","","11.019","","5.431","","90","","90","","90","","541.53","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","Rasvumite","- Fe2 K S3 -","- Fe2 K S3 -","- Fe8 K4 S12 -","4","0.25","","Clark, J. R.; Brown, G. E.","Crystal structure of rasvumite, KFe2S3","American Mineralogist","1980","65","","477","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001223","16.041","","13.746","","6.715","","90","","90","","90","","1480.66","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","","Kornerupine","- Al6.088 B0.428 Fe0.38 H Mg3.374 O22 Si4.104 -","- Al6.088 B0.428 Fe0.38 H Mg3.374 O22 Si4.104 -","- Al24.352 B1.712 Fe1.52 H4 Mg13.496 O88 Si16.416 -","4","0.25","","Moore, P. B.; Sen Gupta, P. K.; Schlemper, E. O.","Kornerupine: Chemical crystallography, comparative crystallography, and its cation relation to olivine and to Ni2In intermetallic","American Mineralogist","1989","74","","642","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001380","16.117","","13.728","","6.749","","90","","90","","90","","1493.24","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","","Kornerupine","- Al7.08 F0.25 Fe0.332 H0.6 Mg3.158 O21.75 Si3.56 -","- Al7.08 F0.25 Fe0.332 H0.6 Mg3.158 O21.75 Si3.56 -","- Al28.32 F Fe1.328 H2.4 Mg12.632 O87 Si14.24 -","4","0.25","","Klaska, R.; Grew, E. S.","The crystal structure of B-free kornerupine: Conditions favoring the incorporation of variable amounts of B through B = Si substitution in kornerupine Note: Sample is from the Sinyoni Claims in the Limpopo Belt near Beit Bridge, Zimbabwe","American Mineralogist","1991","76","","1824","1835","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001710","5.847","","8.79","","13.128","","90","","90","","90","","674.715","","","","295","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 295 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001711","5.851","","8.799","","13.136","","90","","90","","90","","676.28","","","","410","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 410 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001712","5.857","","8.81","","13.15","","90","","90","","90","","678.542","","","","500","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 500 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001714","6.255","","9.067","","13.431","","90","","90","","90","","761.727","","","","518.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","Hennomartinite","- H4 Mn2 O10 Si2 Sr -","- H4 Mn2 O10 Si2 Sr -","- H16 Mn8 O40 Si8 Sr4 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Lawsonite-type phase transitions in hennomartinite, SrMn2[Si2O7](OH)2.H2O T = 245 C","American Mineralogist","1996","81","","9","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001830","9.747","","23.88","","20.068","","90","","90","","90","","4671","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","","Terranovaite","- Al3 Ca1.48 H54 Na1.48 O50.72 Si17 -","- Al3 Ca1.48 H21.44 Na1.48 O50.72 Si17 -","- Al12 Ca5.92 H85.76 Na5.92 O202.88 Si68 -","4","0.25","","Galli, E.; Quartieri, S.; Vezzalini, G.; Alberti, A.; Franzini, M.","Terranovaite from Antarctica: A new 'pentasil' zeolite","American Mineralogist","1997","82","","423","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:12",""
"9002248","14.131","","13.885","","55.969","","90","","90","","90","","10981.6","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Wolsendorfite","- Ba0.72 H40.16 O126 Pb12.32 U28 -","- Ba0.72 H56 O126 Pb12.32 U28 -","- Ba2.88 H224 O504 Pb49.28 U112 -","4","0.25","","Burns, P. C.","A new complex sheet of uranyl polyhedra in the structure of wolsendorfite","American Mineralogist","1999","84","","1661","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:38:57",""
"9003635","2.613","","8.473","","6.443","","90","","90","","90","","142.648","","","","300","","","","78300000","","","","","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Hirose, K.; Kawamura, K.; Ohishi, Y.; Tateno, S.; Sata, N.","Stability and equation of state of MgGeO3 post-perovskite phase Sample: P = 78.3 GPa, T = 300 K Note: CaIrO3-type structure","American Mineralogist","2005","90","","262","265","10.2138/am.2005.1702","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003636","2.613","","8.473","","6.443","","90","","90","","90","","142.648","","","","300","","","","78300000","","","","","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Hirose, K.; Kawamura, K.; Ohishi, Y.; Tateno, S.; Sata, N.","Stability and equation of state of MgGeO3 post-perovskite phase Sample: P = 78.3 GPa, T = 300 K Note: CaIrO3-type structure, positional parameters from MD simulation","American Mineralogist","2005","90","","262","265","10.2138/am.2005.1702","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004001","2.4687","","8.1165","","6.1514","","90","","90","","90","","123.257","","","","300","","","","116000000","","","","synthetic sample","3","C m c m","-C 2c 2","63","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.25","","Ono, S.; Kikegawa, T.; Ohishi, Y.","Equation of state of CaIrO3-type MgSiO3 up to 144 GPa Sample: P = 116 GPa, T = 300 K","American Mineralogist","2006","91","","475","478","10.2138/am.2006.2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004243","4.11","","13.6","","30.485","","90","","90","","90","","1703.99","","","","","","","","","","","","La Roche Balue, west of Nantes, France","4","C m c m","-C 2c 2","63","","","Heyrovskyite","- Ag1.31 Bi3.32 Pb3.37 S9 -","- Ag1.31 Bi3.32 Pb3.37 S9 -","- Ag5.24 Bi13.28 Pb13.48 S36 -","4","0.25","","Makovicky, E.; Mumme, W. G.; Hoskins, B. F.","The crystal structure of Ag-Bi-bearing heyrovskyite","The Canadian Mineralogist","1991","29","","553","559","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004389","13.447","","15.022","","17.601","","90","","90","","90","","3555.42","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Varennesite","- H2 Mn2 Na8 O39 Si10 -","- H2 Mn2 Na8 O39 Si10 -","- H8 Mn8 Na32 O156 Si40 -","4","0.25","","Grice, J. D.; Gault, R. A.","Varennesite, a new species of hydrated Na-Mn silicate with a unique monophyllosilicate structure","The Canadian Mineralogist","1995","33","","1073","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004639","7.125","","17.937","","18.342","","90","","90","","90","","2344.13","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Haiweeite","- Ca0.5 H13 O10.5 Si2.5 U -","- Ca0.5 H3 O10.5 Si2.5 U -","- Ca4 H24 O84 Si20 U8 -","8","0.5","","Burns, P. C.","A new uranyl silicate sheet in the structure of haiweeite and comparison to other uranyl silicates","The Canadian Mineralogist","2001","39","","1153","1160","10.2113/gscanmin.39.4.1153","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005088","6.255","","9.034","","13.397","","90","","90","","90","","757.033","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- H6 Mn2 O10 Si2 Sr -","- H4 Mn2 O10 Si2 Sr -","- H16 Mn8 O40 Si8 Sr4 -","4","0.25","","Armbruster, T.; Oberhansli, R.; Bermanec, V.","Crystal structure of SrMn2(Si2O7)(OH)2.H2O, a new mineral of the lawsonite type","European Journal of Mineralogy","1992","4","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005242","18.109","","20.485","","7.523","","90","","90","","90","","2790.75","","","","","","","","","","","","Ponza, Italy","7","C m c m","-C 2c 2","63","","","Mordenite","- Al2.04 Ca0.4 H22 K0.66 Na0.56 O30.94 Si9.96 -","- Al2.04 Ca0.4 H13.88 K0.66 Na0.56 O30.94 Si9.96 -","- Al8.16 Ca1.6 H55.52 K2.64 Na2.24 O123.76 Si39.84 -","4","0.25","","Passaglia, E.; Artioli, G.; Gualtieri, A.; Carnevali, R.","Diagenetic mordenite from Ponza, Italy","European Journal of Mineralogy","1995","7","","429","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005451","7.7842","","7.8033","","7.7828","","90","","90","","90","","472.746","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Isolueshite","- La0.25 Na0.75 Nb0.5 O3 Ti0.5 -","- La0.25 Na0.75 Nb0.5 O3 Ti0.5 -","- La2 Na6 Nb4 O24 Ti4 -","8","0.5","","Krivovichev, S. V.; Chakhmouradian, A. R.; Mitchell, R. H.; Filatov, S. K.; Chukanov, N. V.","Crystal structure of isolueshite and its synthetic compositional analogue Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3","European Journal of Mineralogy","2000","12","","597","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005605","18.12","","20.494","","7.531","","90","","90","","90","","2796.65","","","","298.15","","","","","","","","","10","C m c m","-C 2c 2","63","","","Mordenite","- Al1.85 Ca0.472 Fe0.007 H9.1 K0.035 Mg0.022 Na0.775 O30.897 Si10.133 Sr0.002 -","- Al1.8504 Ca0.472 Fe0.0072 H13.794 K0.035 Mg0.022 Na0.775 O30.897 Si10.1328 Sr0.002 -","- Al7.4016 Ca1.888 Fe0.0288 H55.176 K0.14 Mg0.088 Na3.1 O123.588 Si40.5312 Sr0.008 -","4","0.25","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 25 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005606","18.074","","20.446","","7.531","","90","","90","","90","","2783.01","","","","473.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","Mordenite","- Al1.85 Ca0.439 Fe0.007 H25.4 Mg0.008 O28.887 Si10.133 -","- Al1.8504 Ca0.4395 Fe0.0072 H9.774 Mg0.0079 O28.887 Si10.1328 Sr0.0008 -","- Al7.4016 Ca1.758 Fe0.0288 H39.096 Mg0.0316 O115.548 Si40.5312 Sr0.0032 -","4","0.25","","Martucci A; Sacerdoti M; Cruciani G; Dalconi C","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 200 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005607","18.024","","20.386","","7.503","","90","","90","","90","","2756.88","","","","723.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","Mordenite","- Al0.617 Fe0.002 H9.334 O9.081 Si3.378 -","- Al0.6168 Fe0.0024 H2.16133 O9.08067 Si3.3776 -","- Al7.4016 Fe0.0288 H25.936 O108.968 Si40.5312 -","12","0.75","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 450 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005608","18.029","","20.308","","7.493","","90","","90","","90","","2743.43","","","","1103.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","Mordenite","- Al1.85 Fe0.007 H10.002 Na0.547 O25.568 Si10.133 -","- Al1.8504 Fe0.0072 H3.136 Na0.547 O25.568 Si10.1328 -","- Al7.4016 Fe0.0288 H12.544 Na2.188 O102.272 Si40.5312 -","4","0.25","","Martucci, A.; Sacerdoti, M.; Cruciani, G.; Dalconi, C.","In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 830 C","European Journal of Mineralogy","2003","15","","485","493","10.1127/0935-1221/2003/0015-0485","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9007487","23.19","","5.005","","19.39","","90","","90","","90","","2250.52","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","","Bavenite","- Al2 Be2 Ca4 H2 O28 Si9 -","- Al2 Be2 Ca4 H2 O28 Si9 -","- Al8 Be8 Ca16 H8 O112 Si36 -","4","0.25","","Cannillo, E.; Coda, A.; Fagnani, G.","The crystal structure of bavenite","Acta Crystallographica","1966","20","","301","309","10.1107/S0365110X66000586","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007507","6.8368","","6.2619","","6.7916","","90","","90","","90","","290.758","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Ferruccite","- B F4 Na -","- B F4 Na -","- B4 F16 Na4 -","4","0.25","","Brunton, G.","Refinement of the structure of NaBF4","Acta Crystallographica, Section B","1968","24","","1703","1704","10.1107/S0567740868004905","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007812","3.6784","","11.612","","18.6332","","90","","90","","90","","795.891","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K O10 V4 -","- K O10 V4 -","- K4 O40 V16 -","4","0.25","","Kanke, Y.; Kato, K.; Takayama-Muromachi E; Isobe, M.; Kosuda, K.","Structure of K0.5V2O5","Acta Crystallographica, Section C","1990","46","","1590","1592","10.1107/S0108270189014228","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007827","7.3212","","12.7576","","13.5636","","90","","90","","90","","1266.85","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 Er Fe N6 O4 -","- C6 Er Fe N6 O4 -","- C24 Er4 Fe4 N24 O16 -","4","0.25","","Dommann, A.; Vetsch, H.; Hulliger, F.; Petter, W.","Structure of ErFe(CN)6.4H2O","Acta Crystallographica, Section C","1990","46","","1992","1994","10.1107/S0108270190002682","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007848","4.0504","","10.44","","5.7646","","90","","90","","90","","243.763","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al Ge Y -","- Al Ge Y -","- Al4 Ge4 Y4 -","4","0.25","","Zhao, J. T.; Parthe, E.","Structure of YAlGe and isotypic rare-earth-aluminium germanides","Acta Crystallographica, Section C","1990","46","","2276","2279","10.1107/S0108270190005571","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008102","6.475","","12.545","","8.655","","90","","90","","90","","703.036","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- H10 Na2 O5 S -","- Na2 O5 S -","- Na8 O20 S4 -","4","0.25","","Bedlivy, D.; Preisinger, A.","Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O","Zeitschrift fur Kristallographie","1965","121","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008103","6.569","","12.873","","8.912","","90","","90","","90","","753.623","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- H10 Na2 O5 Se -","- H10 Na2 O5 Se -","- H40 Na8 O20 Se4 -","4","0.25","","Bedlivy, D.; Preisinger, A.","Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O","Zeitschrift fur Kristallographie","1965","121","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008104","6.735","","13.469","","9.219","","90","","90","","90","","836.29","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- H10 Na2 O5 Te -","- H10 Na2 O5 Te -","- H40 Na8 O20 Te4 -","4","0.25","","Bedlivy, D.; Preisinger, A.","Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O","Zeitschrift fur Kristallographie","1965","121","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008295","4.148","","11.48","","4.177","","90","","90","","90","","198.905","","","","905","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","Herzenbergite","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.25","","Schnering, H. G.; Wiedemeier, H.","The high temperature structure of beta-SnS and beta-SnSe and the B16-to-B33 type gamma-transition path Sample: T = 905 K","Zeitschrift fur Kristallographie","1981","156","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008296","4.31","","11.705","","4.318","","90","","90","","90","","217.837","","","","825","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.25","","Schnering, H. G.; Wiedemeier, H.","The high temperature structure of beta-SnS and beta-SnSe and the B16-to-B33 type gamma-transition path Sample: T = 825 K","Zeitschrift fur Kristallographie","1981","156","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008390","3.763","","6.568","","16.225","","90","","90","","90","","401.007","","","","8","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","Covellite","- Cu S -","- Cu S -","- Cu12 S12 -","12","0.75","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Andresen, A. F.; Mueller-Kaefer R; Simon, A.","Low-temperature structural distortion in CuS Sample: T = 8 K Note: Cell parameters estimated from Figure 1","Zeitschrift fur Kristallographie","1988","184","","111","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008427","4.077","","13.477","","19.88","","90","","90","","90","","1092.32","","","","","","","","","","","","Synthetic","4","C m c m","-C 2c 2","63","","","Gustavite","- Ag Bi3 Pb S6 -","- Ag Bi3 Pb S6 -","- Ag4 Bi12 Pb4 S24 -","4","0.25","","Bente, K.; Engel, M.; Steins, M.","Crystal structure of lead silver tribismuth sulfide, PbAgBi3S6 Note: natural gustavite exhibits ordered Bi/Ag","Zeitschrift fur Kristallographie","1993","205","","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008584","2.854","","5.869","","4.955","","90","","90","","90","","82.997","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","Uranium-alpha","","Uranium-alpha","- U -","- U -","- U4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008947","2.925","","7.396","","2.966","","90","","90","","90","","64.164","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B Ni -","- B Ni -","- B4 Ni4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:04:29",""
"9008948","2.969","","7.858","","2.932","","90","","90","","90","","68.405","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B Cr -","- B Cr -","- B4 Cr4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:04:48",""
"9008981","4.582","","12.92","","5.251","","90","","90","","90","","310.856","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- I Tl -","- I Tl -","- I4 Tl4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008982","4.46","","12.39","","4.73","","90","","90","","90","","261.377","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Br In -","- Br In -","- Br4 In4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008983","4.75","","12.76","","4.91","","90","","90","","90","","297.595","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- I In -","- I In -","- I4 In4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009217","2.456","","8.042","","6.093","","90","","90","","90","","120.344","","","","300","","","","121000000","","","","","3","C m c m","-C 2c 2","63","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.25","","Murakami, M.; Hirose, K.; Kawamura, K.; Sata, N.; Ohishi, Y.","Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K Note: CaIrO3-type structure from ab initio calculations using observed cell parameters","Science","2004","304","","855","858","10.1126/science.1095932","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009288","10.404","","10.133","","9.9598","","90","","90","","90","","1050","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cl4 Cs2 Pt -","- Cl4 Cs2 Pt -","- Cl16 Cs8 Pt4 -","4","0.25","","Rodek, E.; Bartl, H.; Sterzel, W.; Platte, C.","Kristallstrukturuntersuchung an Cs2PtCl4","Neues Jahrbuch fur Mineralogie, Monatshefte","1979","1979","","81","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009926","14.949","","10.626","","7.043","","90","","90","","90","","1118.77","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Yftisite-(Y)","- F6 O9 Si2 Ti Y4 -","- F6 O9 Si2 Ti Y4 -","- F24 O36 Si8 Ti4 Y16 -","4","0.25","","Balko, V. P.; Bakakin, V. V.","Crystal-structure of natural yttrium and rare-earth fluorotitano-silicate (Y,Ree)4(F,OH)6TiO[SiO4]2 (yftisite)","Zhurnal Strukturnoi Khimii","1975","16","","837","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010005","5.603","","12.245","","5.448","","90","","90","","90","","373.78","","","","","","","","","","","","Djebel Nador, Algeria","4","C m c m","-C 2c 2","63","","","Nadorite","- Cl O2 Pb Sb -","- Cl O2 Pb Sb -","- Cl4 O8 Pb4 Sb4 -","4","0.25","","Giuseppetti, G.; Tadini, C.","Riesame della struttura cristallina della nadorite: PbSbO2Cl","Periodico di Mineralogia","1973","42","","335","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010119","2.7145","","8.393","","6.8512","","90","","90","","90","","156.09","","","","","","","","54000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.25","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (b), P = 54 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010120","2.7164","","8.381","","6.8487","","90","","90","","90","","155.919","","","","","","","","54000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.25","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (c), P = 54 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010354","3.13451","","9.87568","","7.29518","","90","","90","","90","","225.825","","","","2","","","","100","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 2.0 K, P = 1 bar","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010355","3.13493","","9.87709","","7.29562","","90","","90","","90","","225.901","","","","100","","","","100","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 100.0 K, P = 1 bar","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010356","3.13622","","9.88198","","7.29871","","90","","90","","90","","226.202","","","","205","","","","100","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 205.0 K, P = 1 bar","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010357","3.13645","","9.88352","","7.29903","","90","","90","","90","","226.264","","","","293","","","","100","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 293 K, P = 1 bar","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010361","3.14341","","9.8816","","7.3021","","90","","90","","90","","226.817","","","","","","","","0","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 0.00 GPa","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010362","3.1332","","9.8271","","7.2805","","90","","90","","90","","224.169","","","","","","","","2170000","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 2.17 GPa","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010363","3.1193","","9.7505","","7.2496","","90","","90","","90","","220.495","","","","","","","","5400000","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 5.40 GPa","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010364","3.1084","","9.6931","","7.228","","90","","90","","90","","217.78","","","","","","","","7950000","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 7.95 GPa","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010365","3.1011","","9.6587","","7.2111","","90","","90","","90","","215.991","","","","","","","","9720000","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 9.72 GPa","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010366","3.1015","","9.6551","","7.2141","","90","","90","","90","","216.028","","","","","","","","9680000","","","","","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 9.68 GPa","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010456","2.5718","","8.3274","","6.3536","","90","","90","","90","","136.071","","","","300","","","","105400000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: A036, P = 105.4 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010457","2.5677","","8.3132","","6.3453","","90","","90","","90","","135.446","","","","300","","","","109300000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: A038, P = 109.3 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010458","2.5811","","8.3628","","6.373","","90","","90","","90","","137.563","","","","300","","","","100200000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: A042, P = 100.2 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010459","2.6001","","8.4123","","6.4099","","90","","90","","90","","140.203","","","","1740","","","","92100000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B017, P = 92.1 GPa, T = 1740 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010460","2.5987","","8.4107","","6.4079","","90","","90","","90","","140.057","","","","1420","","","","93600000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B018, P = 93.6 GPa, T = 1420 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010461","2.5971","","8.4089","","6.4064","","90","","90","","90","","139.908","","","","300","","","","87800000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B019, P = 87.8 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010462","2.5949","","8.4009","","6.4013","","90","","90","","90","","139.545","","","","300","","","","89500000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B020, P = 89.5 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010463","2.6018","","8.4259","","6.4161","","90","","90","","90","","140.657","","","","300","","","","85000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B038, P = 85.0 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010464","2.6113","","8.4602","","6.4381","","90","","90","","90","","142.231","","","","300","","","","79200000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B040, P = 79.2 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010465","2.6127","","8.4674","","6.4413","","90","","90","","90","","142.499","","","","300","","","","78200000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.","Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B041, P = 78.2 GPa, T = 300 K","American Mineralogist","2008","93","","965","976","10.2138/am.2008.2691","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010481","3.1472","","9.8655","","7.3018","","90","","90","","90","","226.711","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Sugahara, M.; Yoshiasa, A.; Yoneda, A.; Hashimoto, T.; Sakai, S.; Okube, M.; Nakatsuka, A.; Ohtaka, O.","Single-crystal X-ray diffraction study of CaIrO3 Note: post-perovskite structure","American Mineralogist","2008","93","","1148","1152","10.2138/am.2008.2701","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010839","5.85","","8.79","","13.122","","90","","90","","90","","674.753","","","","295","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Kolesov, B. A.; Lager, G. A.; Schultz, A. J.","Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and Raman spectroscopic investigation Sample: T = 295 K","European Journal of Mineralogy","2008","20","","63","72","10.1127/0935-1221/2008/0020-1781","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010840","6.066","","8.908","","18.995","","90","","90","","90","","1026.41","","","","","","","","","","","","Cassagna mine, northern Apennines, Liguria, Italy","9","C m c m","-C 2c 2","63","","","Cassagnaite","- Al0.75 Ca1.65 Fe0.8 H3 Mg0.3 Mn1.05 O13 Si2.6 V0.35 -","- Al0.75 Ca1.65 Fe0.8 H3 Mg0.3 Mn1.05 O13 Si2.6 V0.35 -","- Al3 Ca6.6 Fe3.2 H12 Mg1.2 Mn4.2 O52 Si10.4 V1.4 -","4","0.25","","Basso, R.; Carbone, C.; Palenzona, A.","Cassagnaite, a new, V-bearing silicate mineral from the Cassagna mine, northern Apennines, Italy","European Journal of Mineralogy","2008","20","","95","100","10.1127/0935-1221/2007/0019-1777","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010961","3.12607","","9.91983","","7.35059","","90","","90","","90","","227.942","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca O3 Pt -","- Ca O3 Pt -","- Ca4 O12 Pt4 -","4","0.25","","Ohgushi, K.; Matsushita, Y.; Miyajima, N.; Katsuya, Y.; Tanaka, M.; Izumi, F.; Gotou, H.; Ueda, Y.; Yagi, T.","CaPtO3 as a novel post-perovskite oxide","Physics and Chemistry of Minerals","2008","35","","189","195","10.1007/s00269-007-0211-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011076","18.722","","11.889","","6.688","","90","","90","","90","","1488.65","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C14 N4 O2 Pt -","- C14 H12 N4 O2 Pt -","- C56 H48 N16 O8 Pt4 -","4","0.25","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011120","10.593","","13.523","","5.203","","90","","90","","90","","745.325","","","","220","","","","","","","","Synthetic","1","C m c m","-C 2c 2","63","","","Gallium","- Ga -","- Ga -","- Ga40 -","40","2.5","","Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A.","Structure cristalline de Ga-gamma Sample: at T = 220 K Note: structure known as gamma phase","Acta Crystallographica, Section B","1972","28","","1974","1975","10.1107/S0567740872005357","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011253","10.31","","8.56","","15.55","","90","","90","","90","","1372.34","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C2 Br2 O Tl -","- C2 H4 Br2 O Tl -","- C16 H32 Br16 O8 Tl8 -","8","0.5","","Marsh, R. E.; Herbstein, F. H.","More space-group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011322","4.21616","","11.023","","7.2951","","90","","90","","90","","339.038","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl H6 Mg0.5 O2 -","- Cl H4 Mg0.5 O2 -","- Cl4 H16 Mg2 O8 -","4","0.25","","Sugimoto, K.; Dinnebier, R. E.; Hanson, J. C.","Structures of three dehydration products of bischofite from in situ synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4)","Acta Crystallographica, Section B","2007","63","2","235","242","10.1107/S0108768107002558","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011536","12.501","","5.846","","9.443","","90","","90","","90","","690.102","","","","","","","","","","","","Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia","5","C m c m","-C 2c 2","63","","","Podlesnoite","- C2 Ba Ca2 F2 O6 -","- C8 Ba4 Ca8 F8 O24 -","- C8 Ba4 Ca8 F8 O24 -","","","","Zubkova, N. V.; Pushcharovsky, D. Y.; Pekov, I. V.; Rabadanov, M. K.","The crystal structure of podlesnoite, BaCa2(CO3)2F2","Zeitschrift fur Kristallographie","2007","222","","474","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011678","3.399","","10.124","","4.032","","90","","90","","90","","138.747","","","","","","","","10800000","","","","","2","C m c m","-C 2c 2","63","","","","- Ag Cl -","- Ag4 Cl4 -","- Ag4 Cl4 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 10.8 Gpa, Phase III","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011679","3.369","","10.023","","4.053","","90","","90","","90","","136.86","","","","","","","","12700000","","","","","2","C m c m","-C 2c 2","63","","","","- Ag Cl -","- Ag4 Cl4 -","- Ag4 Cl4 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 12.7 GPa, Phase III","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011680","3.337","","9.907","","4.095","","90","","90","","90","","135.379","","","","","","","","14200000","","","","","2","C m c m","-C 2c 2","63","","","","- Ag Cl -","- Ag4 Cl4 -","- Ag4 Cl4 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 14.2 GPa, Phase III","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011681","3.32","","9.835","","4.108","","90","","90","","90","","134.135","","","","","","","","16100000","","","","","2","C m c m","-C 2c 2","63","","","","- Ag Cl -","- Ag4 Cl4 -","- Ag4 Cl4 -","","","","Hull, S.; Keen, D. A.","Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 16.1 Gpa, Phase III","Physical Review B","1999","59","","750","761","10.1103/PhysRevB.59.750","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011751","5.314","","14.691","","7.031","","90","","90","","90","","548.896","","","","","","","","","","","","Gambatesa mine, eastern Liguria, Italy","5","C m c m","-C 2c 2","63","","","Haradaite","- Ba0.14 O7 Si2 Sr0.86 V -","- Ba0.56 O28 Si8 Sr3.44 V4 -","- Ba0.56 O28 Si8 Sr3.44 V4 -","","","","Basso, R.; Lucchetti, G.; Palenzona, A.; Zefiro, L.","Haradaite from the Gambatesa mine, eastern Liguria, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","281","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:58",""
"9012247","2.851","","12.12","","3.736","","90","","90","","90","","129.094","","","","296.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 23 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012248","2.8796","","12.205","","3.761","","90","","90","","90","","132.182","","","","303.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 30 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012249","2.8675","","12.274","","3.733","","90","","90","","90","","131.386","","","","323.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 50 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012250","2.8686","","12.265","","3.715","","90","","90","","90","","130.706","","","","373.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 100 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012251","2.8695","","12.232","","3.6945","","90","","90","","90","","129.676","","","","413.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 140 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012252","2.8681","","12.2256","","3.6941","","90","","90","","90","","129.531","","","","453.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 180 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012253","2.8678","","12.2188","","3.6941","","90","","90","","90","","129.445","","","","513.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 240 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012273","2.8656","","12.226","","3.6886","","90","","90","","90","","129.229","","","","","","","","","","annealed t = 3 days, T = 473 K","","Synthetic","3","C m c m","-C 2c 2","63","","","Bohmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Sanchez-Valente J; Pedraza, F.","Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 3 days, T = 473 K","Journal of Solid State Chemistry","2002","166","","182","190","10.1006/jssc.2002.9579","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012274","2.86676","","12.223","","3.6907","","90","","90","","90","","129.324","","","","","","","","","","annealed t = 7 days, T = 473 K","","Synthetic","3","C m c m","-C 2c 2","63","","","Bohmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Sanchez-Valente J; Pedraza, F.","Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 7 days, T = 473 K","Journal of Solid State Chemistry","2002","166","","182","190","10.1006/jssc.2002.9579","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012275","2.8668","","12.2189","","3.6922","","90","","90","","90","","129.335","","","","","","","","","","annealed t = 15 days, T = 473 K","","Synthetic","3","C m c m","-C 2c 2","63","","","Bohmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Sanchez-Valente J; Pedraza, F.","Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 15 days, T = 473 K","Journal of Solid State Chemistry","2002","166","","182","190","10.1006/jssc.2002.9579","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012485","2.9","","8.13","","3.17","","90","","90","","90","","74.739","","","","256.85","","","","","","","","","1","C m c m","-C 2c 2","63","Gallium","","","- Ga -","- Ga4 -","- Ga4 -","","","","Curien, H.; Rimsky, A.; Defrain, A.","Structure atomique d'une phase cristalline du gallium, instable a la pression atmospherique Locality: synthetic Sample: at T = 256.85 K","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1961","84","","260","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","287551","2023-11-11","19:15:01",""
"9012767","14.081","","13.109","","23.56","","90","","90","","90","","4348.89","","","","","","","","","","","","Fresno County, California, USA","5","C m c m","-C 2c 2","63","","","Macdonaldite","- Ba Ca4 H24 O48.4 Si16 -","- Ba Ca4 H22.24 O48.4 Si16 -","- Ba4 Ca16 H88.96 O193.6 Si64 -","4","0.25","","Cannillo, E.; Rossi, G.; Ungaretti, L.","The crystal structure of macdonaldite Note: x(Si4) corrected","Atti della Accademia Nazionale dei Lincei","1968","45","","399","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013450","9.5193","","11.5826","","5.482","","90","","90","","90","","604.436","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Pautovite","- Cs Fe2 S3 -","- Cs4 Fe8 S12 -","- Cs4 Fe8 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013451","9.2202","","11.2429","","5.445","","90","","90","","90","","564.438","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Fe2 Rb S3 -","- Fe8 Rb4 S12 -","- Fe8 Rb4 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013452","9.2202","","11.2429","","5.445","","90","","90","","90","","564.438","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Fe2 Rb S3 -","- Fe8 Rb4 S12 -","- Fe8 Rb4 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Note: Rietveld refinement using FULLPROF Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013453","9.0415","","11.0298","","5.41771","","90","","90","","90","","540.286","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Rasvumite","- Fe2 K S3 -","- Fe8 K4 S12 -","- Fe8 K4 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013454","9.4144","","11.4632","","5.4691","","90","","90","","90","","590.221","","","","","","","","","","","","Synthetic","4","C m c m","-C 2c 2","63","","","Pautovite","- Cs0.5 Fe2 Rb0.5 S3 -","- Cs2 Fe8 Rb2 S12 -","- Cs2 Fe8 Rb2 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013455","9.1554","","11.1612","","5.4382","","90","","90","","90","","555.704","","","","","","","","","","","","Synthetic","4","C m c m","-C 2c 2","63","","","Rasvumite","- Fe2 K0.5 Rb0.5 S3 -","- Fe8 K2 Rb2 S12 -","- Fe8 K2 Rb2 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013456","9.3268","","11.3693","","5.4592","","90","","90","","90","","578.889","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","Rasvumite","- Cs0.5 Fe2 K0.5 S3 -","- Cs2 Fe8 K2 S12 -","- Cs2 Fe8 K2 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9013499","9.083","","10.754","","5.412","","90","","90","","90","","528.636","","","","","","","","","","","","Allchar, FYR Macedonia","3","C m c m","-C 2c 2","63","","","Picotpaulite","- Fe2 S3 Tl -","- Fe8 S12 Tl4 -","- Fe8 S12 Tl4 -","","","","Balic-Zunic T; Karanovic, L.; Poleti, D.","Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia","Acta Chimica Slovenica","2008","55","","801","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013959","3.021","","10.009","","12.643","","90","","90","","90","","382.289","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ca Fe3 O5 -","- Ca4 Fe12 O20 -","- Ca4 Fe12 O20 -","","","","Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.","Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance","Journal of Solid State Chemistry","1980","35","","112","119","10.1016/0022-4596(80)90471-5","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013960","3.05","","9.986","","15.321","","90","","90","","90","","466.636","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ca Fe4 O6 -","- Ca4 Fe16 O24 -","- Ca4 Fe16 O24 -","","","","Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.","Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance","Journal of Solid State Chemistry","1980","35","","112","119","10.1016/0022-4596(80)90471-5","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013961","3.052","","10.041","","17.966","","90","","90","","90","","550.57","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Ca Fe5 O7 -","- Ca4 Fe20 O28 -","- Ca4 Fe20 O28 -","","","","Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.","Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance","Journal of Solid State Chemistry","1980","35","","112","119","10.1016/0022-4596(80)90471-5","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9014088","5.849","","8.79","","13.132","","90","","90","","90","","675.152","","","","","","","","","","","","Synthetic","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014235","2.843","","9.7","","12.29","","90","","90","","90","","338.923","","","","","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","","- Fe4 O5 -","- Fe16 O20 -","- Fe16 O20 -","","","","Lavina, B.; Dera, P.; Kim, E.; Meng, Y.; Downs, R. T.; Weck, P. F.; Sutton, S. R.; Zhao, Y.","Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa","Proceedings of the National Academy of Sciences","2011","108","","17281","17284","10.1073/pnas.1107573108","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014243","2.87366","","9.694","","12.4116","","90","","90","","90","","345.753","","","","","","","","","","","","synthetic, P = 11.5 GPa, T = 1366 K","2","C m c m","-C 2c 2","63","","","","- Fe4 O5 -","- Fe16 O20 -","- Fe16 O20 -","","","","Woodland, A. B.; Frost, D. J.; Trots, D. M.; Klimm, K.; Mezouar, M.","In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures","American Mineralogist","2012","97","","1808","1811","10.2138/am.2012.4270","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014408","5.8417","","8.7904","","13.1345","","90","","90","","90","","674.468","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.971 H4 O10 Si2 Sr0.029 -","- Al2 Ca0.971 H4 O10 Si2 Sr0.029 -","- Al8 Ca3.884 H16 O40 Si8 Sr0.116 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU77","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015255","3.9542","","27.142","","5.692","","90","","90","","90","","610.893","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Eu2 O7 Ta2 -","- Eu8 O28 Ta8 -","- Eu8 O28 Ta8 -","","","","Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.","Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6","Zeitschrift fur Kristallographie","1996","211","","547","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015269","5.8457","","8.8286","","13.1834","","90","","90","","90","","680.387","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.807 H4 O10 Si2 Sr0.193 -","- Al2 Ca0.807 H4 O10 Si2 Sr0.193 -","- Al8 Ca3.228 H16 O40 Si8 Sr0.772 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015411","5.8439","","8.8112","","13.1618","","90","","90","","90","","677.724","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.889 H4 O10 Si2 Sr0.111 -","- Al2 Ca0.889 H4 O10 Si2 Sr0.111 -","- Al8 Ca3.556 H16 O40 Si8 Sr0.444 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU63","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015585","5.8419","","8.794","","13.1393","","90","","90","","90","","675.014","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.979 H4 O10 Si2 Sr0.021 -","- Al2 Ca0.979 H4 O10 Si2 Sr0.021 -","- Al8 Ca3.916 H16 O40 Si8 Sr0.084 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU79","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015592","14.15","","10.395","","7.529","","90","","90","","90","","1107.44","","","","","","","","","","","","Jaguaracu, Minas Gerais, Brazil","12","C m c m","-C 2c 2","63","","","Carlosbarbosaite","- Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 -","- Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 -","- Al0.4 Ca1.12 Ce0.08 Fe0.4 H24 Nb3.2 Nd0.08 O56 Si1.04 Ta2.08 Ti0.88 U5.76 -","4","0.25","","Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W.","Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure","Mineralogical Magazine","2012","76","","75","90","10.1180/minmag.2012.076.1.75","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015755","3.7617","","16.9385","","17.3196","","90","","90","","90","","1103.56","","","","","","","","","","","","Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia","4","C m c m","-C 2c 2","63","","","Rusinovite","- Ca5 Cl O10.5 Si3 -","- Ca20 Cl4 O42 Si12 -","- Ca20 Cl4 O42 Si12 -","","","","Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N.","Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia","European Journal of Mineralogy","2011","23","","837","844","10.1127/0935-1221/2011/0023-2160","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015768","7.688","","10.645","","5.736","","90","","90","","90","","469.427","","","","","","","","","","","","Calleta Pabellon de Pica, Tarapaca region, Chile","4","C m c m","-C 2c 2","63","","","Ammineite","- Cl2 Cu H6 N2 -","- Cl8 Cu4 H24 N8 -","- Cl8 Cu4 H24 N8 -","","","","Bojar, H. P.; Walter, F.; Baumgartner, J.; Farber, G.","Ammineite, CuCl2(NH3)2, a new species containing an ammine complex: Mineral data and crystal structure Note: T = 100 K","The Canadian Mineralogist","2010","48","","1359","1371","10.3749/canmin.48.5.1359","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015900","5.714","","8.592","","12.871","","90","","90","","90","","631.898","","","","","","","","","","","","Synthetic","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015922","5.8422","","8.7904","","13.1344","","90","","90","","90","","674.521","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.982 H4 O10 Si2 Sr0.018 -","- Al2 Ca0.982 H4 O10 Si2 Sr0.018 -","- Al8 Ca3.928 H16 O40 Si8 Sr0.072 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU76","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016042","5.8433","","8.8169","","13.1726","","90","","90","","90","","678.65","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.82 H4 O10 Si2 Sr0.18 -","- Al2 Ca0.82 H4 O10 Si2 Sr0.18 -","- Al8 Ca3.28 H16 O40 Si8 Sr0.72 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016164","23.1965","","4.9741","","19.4221","","90","","90","","90","","2240.96","","","","","","","","","","","","Ilimaussaq alkaline complex, South Greenland","6","C m c m","-C 2c 2","63","","","Bavenite","- Al Be3 Ca4 H3 O28 Si9 -","- Al4 Be12 Ca16 H12 O112 Si36 -","- Al4 Be12 Ca16 H12 O112 Si36 -","","","","Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T.","Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals","American Mineralogist","2010","95","","519","526","10.2138/am.2010.3276","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016324","4.084","","13.453","","33.932","","90","","90","","90","","1864.29","","","","","","","","","","","","Synthetic","4","C m c m","-C 2c 2","63","","","","- Ag2.33 Bi4.612 Pb2.058 S10 -","- Ag9.32 Bi18.448 Pb8.232 S40 -","- Ag9.32 Bi18.448 Pb8.232 S40 -","","","","Topa, D.; Makovicky, E.; Schimper, H. J.; Dittrich, H.","The crystal structure of a synthetic orthorhombic N = 8 member of the lillianite homologous series","The Canadian Mineralogist","2010","48","","1127","1135","10.3749/canmin.48.5.1127","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016411","5.8415","","8.7916","","13.136","","90","","90","","90","","674.614","","","","","","","","","","","","Synthetic","6","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca0.965 H4 O10 Si2 Sr0.035 -","- Al2 Ca0.965 H4 O10 Si2 Sr0.035 -","- Al8 Ca3.86 H16 O40 Si8 Sr0.14 -","4","0.25","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU78","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016917","2.685","","9.228","","9.099","","90","","90","","90","","225.448","","","","","","","","50000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Ulvospinel","- Fe2 O4 Ti -","- Fe8 O16 Ti4 -","- Fe8 O16 Ti4 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 50 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:47:32",""
"9017077","2.88445","","9.5207","","9.7532","","90","","90","","90","","267.842","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Xieite","- Cr2 Fe O4 -","- Cr8 Fe4 O16 -","- Cr8 Fe4 O16 -","","","","Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.","High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications","American Mineralogist","2014","99","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017092","2.8889","","9.7282","","12.5523","","90","","90","","90","","352.767","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Fe2.017 Mg1.983 O5 -","- Fe8.0664 Mg7.9336 O20 -","- Fe8.0664 Mg7.9336 O20 -","","","","Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B.","Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member","American Mineralogist","2015","100","","628","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017379","2.876","","12.24","","3.709","","90","","90","","90","","130.565","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Bohmite","- Al H2 O2 -","- Al4 H8 O8 -","- Al4 H8 O8 -","","","","Christensen, A. N.; Lehmann, M. S.; Convert, P.","Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)","Acta Chemica Scandinavica A","1982","36","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017381","3.07","","12.53","","3.876","","90","","90","","90","","149.098","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Lepidocrocite","- Fe H2 O2 -","- Fe4 H8 O8 -","- Fe4 H8 O8 -","","","","Christensen, A. N.; Lehmann, M. S.; Convert, P.","Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)","Acta Chemica Scandinavica A","1982","36","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017417","3.072","","12.516","","3.873","","90","","90","","90","","148.914","","","","","","","","","","","","natural but not given","3","C m c m","-C 2c 2","63","","","Lepidocrocite","- Fe H O2 -","- Fe4 H4 O8 -","- Fe4 H4 O8 -","","","","Zhukhlistov, A. P.","Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data","Crystallography Reports","2001","46","","730","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:57",""
"9017553","23.208","","4.9833","","19.4266","","90","","90","","90","","2246.73","","","","","","","","","","","","Rincon, San Diego County, California","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.179 Be2.811 Ca3.94 H2 Na0.05 O28 Si9.01 -","- Al4.716 Be11.244 Ca15.76 H8 Na0.2 O112 Si36.04 -","- Al4.716 Be11.244 Ca15.76 H8 Na0.2 O112 Si36.04 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 2ABAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:47",""
"9017554","23.2028","","4.9805","","19.429","","90","","90","","90","","2245.25","","","","","","","","","","","","Ilimaussaq, Kangerluarsuk Fjord, Greenland","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.481 Be2.46 Ca3.917 H2 Na0.024 O28 Si9.059 -","- Al5.924 Be9.84 Ca15.668 H8 Na0.096 O112 Si36.236 -","- Al5.924 Be9.84 Ca15.668 H8 Na0.096 O112 Si36.236 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 7BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:58",""
"9017555","23.2068","","4.9929","","19.434","","90","","90","","90","","2251.8","","","","","","","","","","","","Government Pit, Albany, New Hampshire","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.598 Be2.811 Ca3.946 H2 Na0.037 O28 Si9.223 -","- Al2.392 Be11.244 Ca15.784 H8 Na0.148 O112 Si36.892 -","- Al2.392 Be11.244 Ca15.784 H8 Na0.148 O112 Si36.892 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 10BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:01",""
"9017556","23.211","","4.9721","","19.4189","","90","","90","","90","","2241.08","","","","","","","","","","","","Kalisay, Kyrgizstan","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.053 Be2.995 Ca4 H2 Na0.006 O28 Si8.952 -","- Al4.212 Be11.98 Ca16 H8 Na0.024 O112 Si35.808 -","- Al4.212 Be11.98 Ca16 H8 Na0.024 O112 Si35.808 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 11BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:11",""
"9017557","23.198","","4.962","","19.4262","","90","","90","","90","","2236.12","","","","","","","","","","","","Baveno, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.622 Be3.21 Ca3.745 H2 Na0.087 O28 Si9.168 -","- Al2.488 Be12.84 Ca14.98 H8 Na0.348 O112 Si36.672 -","- Al2.488 Be12.84 Ca14.98 H8 Na0.348 O112 Si36.672 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 12BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:14",""
"9017558","23.2164","","5.0023","","19.4447","","90","","90","","90","","2258.22","","","","","","","","","","","","Londonderry, West Australia","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.499 Be2.49 Ca3.953 H2 Na0.036 O28 Si9.011 -","- Al5.996 Be9.96 Ca15.812 H8 Na0.144 O112 Si36.044 -","- Al5.996 Be9.96 Ca15.812 H8 Na0.144 O112 Si36.044 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 13BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:26",""
"9017559","23.2066","","4.9681","","19.4085","","90","","90","","90","","2237.66","","","","","","","","","","","","Sandvik Property, Zealand Twp., Kenora District, Ontario","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.923 Be3.08 Ca3.977 H2 Na0.026 O28 Si8.997 -","- Al3.692 Be12.32 Ca15.908 H8 Na0.104 O112 Si35.988 -","- Al3.692 Be12.32 Ca15.908 H8 Na0.104 O112 Si35.988 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 14BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:39",""
"9017560","23.1995","","5.0111","","19.4454","","90","","90","","90","","2260.62","","","","","","","","","","","","Foote Mine, King's Mountain, Cleavland County, North Carolina","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.882 Be2.178 Ca4 H2 Na0.009 O28 Si8.94 -","- Al7.528 Be8.712 Ca16 H8 Na0.036 O112 Si35.76 -","- Al7.528 Be8.712 Ca16 H8 Na0.036 O112 Si35.76 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 15BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:52",""
"9017561","23.2075","","5.0063","","19.4428","","90","","90","","90","","2258.94","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.718 Be2.26 Ca3.976 H2 Na0.003 O28 Si9 -","- Al6.872 Be9.04 Ca15.904 H8 Na0.012 O112 Si36 -","- Al6.872 Be9.04 Ca15.904 H8 Na0.012 O112 Si36 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 19BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:04",""
"9017562","23.2077","","5.0096","","19.4422","","90","","90","","90","","2260.38","","","","","","","","","","","","Aple Rossa, Oresco, Novara, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.816 Be2.22 Ca4 H2 Na0.003 O28 Si8.964 -","- Al7.264 Be8.88 Ca16 H8 Na0.012 O112 Si35.856 -","- Al7.264 Be8.88 Ca16 H8 Na0.012 O112 Si35.856 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 21BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:15",""
"9017563","23.197","","4.9847","","19.416","","90","","90","","90","","2245.07","","","","","","","","","","","","Oresco, Val Vigeddo, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.301 Be2.701 Ca4 H2 Na0.012 O28 Si8.989 -","- Al5.204 Be10.804 Ca15.996 H8 Na0.048 O112 Si35.956 -","- Al5.204 Be10.804 Ca15.996 H8 Na0.048 O112 Si35.956 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 23BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:25",""
"9017564","23.212","","5.0043","","19.4439","","90","","90","","90","","2258.6","","","","","","","","","","","","Ascham Alm, Untersulzbachtal, Salzburg, Austria","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.745 Be2.277 Ca4 H2 Na0.015 O28 Si8.978 -","- Al6.98 Be9.108 Ca16 H8 Na0.06 O112 Si35.912 -","- Al6.98 Be9.108 Ca16 H8 Na0.06 O112 Si35.912 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 25BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:40",""
"9017565","23.209","","5.0129","","19.4494","","90","","90","","90","","2262.83","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.801 Be2.13 Ca3.919 H2 Na0.012 O28 Si9.069 -","- Al7.204 Be8.52 Ca15.676 H8 Na0.048 O112 Si36.276 -","- Al7.204 Be8.52 Ca15.676 H8 Na0.048 O112 Si36.276 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 27BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:51",""
"9017566","23.2074","","5.0098","","19.4477","","90","","90","","90","","2261.08","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.867 Be2.15 Ca4 H2 Na0.006 O28 Si8.983 -","- Al7.468 Be8.6 Ca16 H8 Na0.024 O112 Si35.932 -","- Al7.468 Be8.6 Ca16 H8 Na0.024 O112 Si35.932 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 28BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:05",""
"9017567","23.2066","","4.996","","19.4373","","90","","90","","90","","2253.56","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.095 Be2.88 Ca3.966 H2 Na0.009 O28 Si9.025 -","- Al4.38 Be11.52 Ca15.864 H8 Na0.036 O112 Si36.1 -","- Al4.38 Be11.52 Ca15.864 H8 Na0.036 O112 Si36.1 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 29BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:17",""
"9017568","23.2096","","5.002","","19.4386","","90","","90","","90","","2256.71","","","","","","","","","","","","Drahonin A, Czech Republic","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.597 Be2.427 Ca4 H2 Na0.022 O28 Si8.976 -","- Al6.388 Be9.708 Ca16 H8 Na0.088 O112 Si35.904 -","- Al6.388 Be9.708 Ca16 H8 Na0.088 O112 Si35.904 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 31BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:34",""
"9017569","23.1995","","4.9743","","19.4255","","90","","90","","90","","2241.73","","","","","","","","","","","","Marsikov, Schinderhubel 1, Czech Republic","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.105 Be2.885 Ca3.977 H2 Na0.014 O28 Si9.01 -","- Al4.42 Be11.54 Ca15.908 H8 Na0.056 O112 Si36.04 -","- Al4.42 Be11.54 Ca15.908 H8 Na0.056 O112 Si36.04 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 32BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:44",""
"9017570","23.1949","","5.0067","","19.437","","90","","90","","90","","2257.22","","","","","","","","","","","","Vlastejovice, Czech Republic","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.664 Be2.37 Ca4 H2 Na0.01 O28 Si8.966 -","- Al6.656 Be9.48 Ca16 H8 Na0.04 O112 Si35.864 -","- Al6.656 Be9.48 Ca16 H8 Na0.04 O112 Si35.864 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 33BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:48",""
"9017571","23.251","","4.9734","","19.4678","","90","","90","","90","","2251.19","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.59 Be3.358 Ca3.803 H2 Na0.145 O28 Si9.052 -","- Al2.36 Be13.432 Ca15.212 H8 Na0.58 O112 Si36.208 -","- Al2.36 Be13.432 Ca15.212 H8 Na0.58 O112 Si36.208 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 35BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:59",""
"9017572","23.2043","","5.0005","","19.4426","","90","","90","","90","","2255.99","","","","","","","","","","","","Nye Rull, Buskerud, Norway","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.66 Be2.301 Ca3.943 H2 Na0.018 O28 Si9.039 -","- Al6.64 Be9.204 Ca15.772 H8 Na0.072 O112 Si36.156 -","- Al6.64 Be9.204 Ca15.772 H8 Na0.072 O112 Si36.156 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 36ABAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:05",""
"9017573","23.2272","","5.0028","","19.4518","","90","","90","","90","","2260.32","","","","","","","","","","","","Baveno, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.405 Be2.578 Ca3.956 H2 Na0.027 O28 Si9.017 -","- Al5.62 Be10.312 Ca15.824 H8 Na0.108 O112 Si36.068 -","- Al5.62 Be10.312 Ca15.824 H8 Na0.108 O112 Si36.068 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 37BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:07",""
"9017574","23.2051","","4.9986","","19.4375","","90","","90","","90","","2254.61","","","","","","","","","","","","Norway","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.351 Be2.667 Ca4 H2 Na0.018 O28 Si8.982 -","- Al5.404 Be10.668 Ca16 H8 Na0.072 O112 Si35.928 -","- Al5.404 Be10.668 Ca16 H8 Na0.072 O112 Si35.928 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 39BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:17",""
"9017575","23.1895","","4.9725","","19.4488","","90","","90","","90","","2242.64","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.02 Be2.942 Ca3.932 H2 Na0.03 O28 Si9.038 -","- Al4.08 Be11.768 Ca15.728 H8 Na0.12 O112 Si36.152 -","- Al4.08 Be11.768 Ca15.728 H8 Na0.12 O112 Si36.152 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 40BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:20",""
"9017576","23.1961","","4.9937","","19.4296","","90","","90","","90","","2250.61","","","","","","","","","","","","Ekaterinburg (near), Ural, Russia","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.5 Be2.503 Ca3.989 H2 Na0.015 O28 Si8.997 -","- Al6 Be10.012 Ca15.956 H8 Na0.06 O112 Si35.988 -","- Al6 Be10.012 Ca15.956 H8 Na0.06 O112 Si35.988 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 41BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:30",""
"9017589","7.298","","12.64","","19.582","","90","","90","","90","","1806.38","","","","","","","","","","","","Clara mine, Germany","6","C m c m","-C 2c 2","63","","","Phyllotungstite-Pb","- Cs0.214 Fe1.72 H6.129 O23 Pb1.146 W5.28 -","- Cs0.214 Fe1.72 H6.129 O23 Pb1.146 W5.28 -","- Cs0.856 Fe6.88 H24.516 O92 Pb4.584 W21.12 -","4","0.25","","Grey, I. E.; Mumme, W. G.; MacRae, C. M.","Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered pyrochlore-hexagonal tungsten bronze intergrowth structure","Mineralogical Magazine","2013","77","","57","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017651","2.8964","","9.8225","","12.5808","","90","","90","","90","","357.922","","","","","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","","- Fe4 O5 -","- Fe16 O20 -","- Fe16 O20 -","","","","Guignard, J.; Crichton, W. A.","Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self- similar series of structures for the lower mantle and transition zone","Mineralogical Magazine","2014","78","","361","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:21:13",""
"9017812","2.466","","8.13","","6.108","","90","","90","","90","","122.457","","","","","","","","120000000","","","","Synthetic","4","C m c m","-C 2c 2","63","","","","- Fe0.07 Mg0.93 O3 Si -","- Fe0.28 Mg3.72 O12 Si4 -","- Fe0.28 Mg3.72 O12 Si4 -","","","","Zhang, L.; Meng, Y.; Dera, P.; Yang, W.; Mao, W. L.; Mao, H.-K.","Single-crystal structure determination of (Mg,Fe)SiO3 postperovskite Note: P = 120 GPa","Proceedings of the National Academy of Sciences","2013","110","","6292","6295","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017850","3.7325","","9.7649","","9.9902","","90","","90","","90","","364.118","","","","","","","","","","","","Aljorra, Spain","4","C m c m","-C 2c 2","63","","","","- Fe1.21 Mg0.19 O5 Ti1.6 -","- Fe4.84 Mg0.76 O20 Ti6.4 -","- Fe4.84 Mg0.76 O20 Ti6.4 -","","","","Kazheva, O. N.; Zubkova, N. V.; Schafer, C.; Chukanov, N. V.; Pekov, I. V.; Britvin, S. N.; Pushcharovsky, D. Y.","The pseudobrookite group: crystal chemical features of the armalcolite Fe2+ analogue","Doklady Earth Sciences","2021","497","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017853","4.567","","12.803","","5.202","","90","","90","","90","","304.168","","","","","","","","","","","","Avacha Volcano, Kamchatka Peninsula, Russia","4","C m c m","-C 2c 2","63","","","Nataliyamalikite","- Br0.03 Cl0.02 I0.95 Tl -","- Br0.12 Cl0.08 I3.8 Tl4 -","- Br0.12 Cl0.08 I3.8 Tl4 -","","","","Okrugin, V.; Favero, M.; Liu, A.; Etschmann, B.; Plutachina, E.; Mills, S.; Tomkins, A. G.; Lukasheva, M.; Kozlov, V.; Moskaleva, S.; Chubarov, M.; Brugger, J.","Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia Note: T = 100 (2) K","American Mineralogist","2017","102","","1736","1746","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017904","28.866","","10.707","","17.425","","90","","90","","90","","5385.51","","","","","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","6","C m c m","-C 2c 2","63","","","Tiettaite","- Fe H14.1 K4 Na10 O50.3 Si16 -","- Fe H14.1 K4 Na10 O50.3 Si16 -","- Fe4 H56.4 K16 Na40 O201.2 Si64 -","4","0.25","","Panikorovskii, T. L.; Pekov, I. V.; Krzhizhanovskaya, M. G.; Yakovenchuk, V. N.; Britven, S. N.; Gurzhiy, V. V.; Bocharov, V. N.; Yapaskurt, V. O.; Krivovichev, S. V.","Tiettaite K4Na12Fe3+Si16O41(OH)4·2H2O: A mineral with a novel type of microporous heteropolyhedral framework","Crystallography Reports","2021","66","","76","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""