# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-15T21:49:48+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m m a' 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
"1000227","7.5635","0.0002","10.901","0.001","6.7319","0.0002","90","","90","","90","","555","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Manganese iron pentafluoride bis(hydrate)","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Leblanc, M; Labbe, P; Heger, G; Ferey, G","Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1987","181","","1","10","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000237","7.183","0.001","10.224","0.001","7.414","0.001","90","","90","","90","","544.5","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel chromium fluoride","","- Cr F7 Na2 Ni -","- Cr F7 Na2 Ni -","- Cr4 F28 Na8 Ni4 -","4","0.25","","Laligant, Y; Ferey, G; Heger, G; Pannetier, J","Refinement of the crystal and frustrated magnetic structures of the direct weberite Na~2~ Ni Cr F~7~ by neutron powder diffraction","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","163","171","10.1002/zaac.19875531019","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000247","7.475","0.001","10.766","0.001","6.594","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Zinc iron(III) fluoride dihydrate","","- F5 Fe H4 O2 Zn -","- F5 Fe H5 O2 Zn -","- F20 Fe4 H20 O8 Zn4 -","4","0.25","","Laligant, Y; Calage, Y; Torres Tapia, E; Greneche, J M; Varret, F; Ferey, G","Crystal structure of the inverse weberite Zn Fe F~5~ (H~2~ O)~2~, magnetic and Moessbauer study of the antiferromagnet Zn Fe F~5~ (H~2~ O)~2~ and ferrimagnet Mn Fe F~5~","Journal of Magnetism and Magnetic Materials","1986","61","","283","290","10.1016/0304-8853(86)90040-5","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000251","5.662","0.001","5.809","0.001","8.758","0.002","90","","90","","90","","288.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Lithium copper vanadate","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Lafontaine, M A; Leblanc, M; Ferey, G","New refinement of the room-temperature structure of Li Cu V O~4~","Acta Crystallographica C (39,1983-)","1989","45","","1205","1206","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000257","7.2338","0.0003","10.305","0.0003","7.4529","0.0003","90","","90","","90","","555.6","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel iron(III) fluoride","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.25","","Laligant, Y; Calage, Y; Heger, G; Pannetier, J; Ferey, G","Ordered Magnetic Frustration VII. Na~2~ Ni Fe F~7~: Reexamination of Its Crystal Structure in the True Space Group after Corrections from Renninger Effect and Refinement of Its Frustrated Magnetic Structure at 4.2 and 55 K","Journal of Solid State Chemistry","1989","78","","66","77","10.1016/0022-4596(89)90128-X","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000258","7.203","0.001","10.255","0.001","7.429","0.001","90","","90","","90","","548.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel iron(III) fluoride","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.25","","Laligant, Y; Calage, Y; Heger, G; Pannetier, J; Ferey, G","Ordered Magnetic Frustration VII. Na~2~ Ni Fe F~7~: Reexamination of Its Crystal Structure in the True Space Group after Corrections from Renninger Effect and Refinement of Its Frustrated Magnetic Structure at 4.2 and 55 K","Journal of Solid State Chemistry","1989","78","","66","77","10.1016/0022-4596(89)90128-X","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000259","7.203","0.001","10.256","0.001","7.429","0.001","90","","90","","90","","548.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel iron(III) fluoride","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.25","","Laligant, Y; Calage, Y; Heger, G; Pannetier, J; Ferey, G","Ordered Magnetic Frustration VII. Na~2~ Ni Fe F~7~: Reexamination of Its Crystal Structure in the True Space Group after Corrections from Renninger Effect and Refinement of Its Frustrated Magnetic Structure at 4.2 and 55 K","Journal of Solid State Chemistry","1989","78","","66","77","10.1016/0022-4596(89)90128-X","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000333","12.5858","0.0009","7.4955","0.0005","5.8116","0.0004","90","","90","","90","","548.2","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Dilithium palladium diphosphate","","- Li2 O7 P2 Pd -","- Li2 O7 P2 Pd -","- Li8 O28 P8 Pd4 -","4","0.25","","Laligant, Y","Crystal structure of Li~2~PdP~2~O~7~ solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1992","29","","239","247","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000402","7.477","0.001","10.862","0.002","6.652","0.001","90","","90","","90","","540.2","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron iron(III) fluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Labbe, P; Ferey, G","A new refinement of the crystal structure of the inverse Weberite Fe2 F5 (H2 O)2","Journal of Solid State Chemistry","1986","62","","274","277","10.1016/0022-4596(86)90240-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000404","7.472","0.001","10.928","0.001","6.606","0.002","90","","90","","90","","539.4","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0568","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000405","7.469","0.001","10.927","0.001","6.602","0.002","90","","90","","90","","538.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0651","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000406","7.47","0.001","10.93","0.001","6.603","0.001","90","","90","","90","","539.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0417","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000425","6.473","0.002","7.853","0.005","10.718","0.003","90","","90","","90","","544.8","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Caesium pentafluorodipalladate","","- Cs F5 Pd2 -","- Cs F5 Pd2 -","- Cs4 F20 Pd8 -","4","0.25","","Ruchaud, N; Grannec, J; Tressaud, A; Ferey, G","Magnetic structure of Cs Pd2 F5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1958","1962","10.1002/zaac.19956211121","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001765","5.431","0.002","7.625","0.002","5.477","0.002","90","","90","","90","","226.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Neodymium strontium manganese oxide (0.5/0.5/1/3)","","- Mn Nd0.5 O3 Sr0.5 -","- Mn Nd0.5 O3 Sr0.5 -","- Mn4 Nd2 O12 Sr2 -","4","0.25","","Caignaert, V; Millange, F; Hervieu, M; Suard, E; Raveau, B","The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite","Solid State Communications","1996","99","3","173","177","10.1016/0038-1098(96)00189-5","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007051","5.652","","5.81","","8.75","","90","","90","","90","","287.3","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Copper lithium vanadate","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Durif, A; Grenier, J C; Joubert, J C; Duc Tran Qui","Structure cristallographique de l'orthovanadate de lithium-cuivre, V Li Cu O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1966","89","","407","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007065","5.652","0.005","5.81","0.005","8.75","0.005","90","","90","","90","","287.3","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Vanadium lithium copper oxide","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Joubert, J C; Grenier, J C; Durif, A","Etude cristallographique de l'orthovanadate de lithium-cuivre.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1965","260","","2472","2475","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008131","6.647","","6.984","","6.75","","90","","90","","90","","313.4","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Manganese uranate","","- Mn O4 U -","- Mn O4 U -","- Mn4 O16 U4 -","4","0.25","","Bacmann, M; Bertaut, E F","Parametres atomiques et structure magnetique de Mn U O~4~","Journal de Physique et du Radium","1966","27","","726","734","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008132","6.497","","6.952","","6.497","","90","","90","","90","","293.5","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cobalt uranate","","- Co O4 U -","- Co O4 U -","- Co4 O16 U4 -","4","0.25","","Bertaut, E F; Delapalme, A; Forrat, F; Pauthenet, R","Etude des uranates de cobalt et de manganese","Journal de Physique et du Radium","1962","23","","477","485","10.1051/jphysrad:01962002308-9047700","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008679","7.1838","0.0002","9.7373","0.0003","5.6018","0.0002","90","","90","","90","","391.9","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cerium iridium silicide (1/3/2)","","- Ce Ir3 Si2 -","- Ce Ir3 Si2 -","- Ce4 Ir12 Si8 -","4","0.25","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Tholence, J L; Boucherle, J X; Keller, N","Crystal structure and physical properties of new ternary silicides R4 T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium)","Journal of Alloys Compd.","1995","218","","197","203","10.1016/0925-8388(94)01400-0","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008839","5.862","","17.586","","8.29","","90","","90","","90","","854.6","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Gallium lithium titanium oxide","","- Ga Li O4 Ti -","- Ga Li O4 Ti -","- Ga12 Li12 O48 Ti12 -","12","0.75","","Bertaut, E F; Patrat, G","Structure de Li Ga Ti O4, nouveau type d'ordre dans les spinelles","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","586","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509039","4.5899","","7.2479","","7.889","","90","","90","","90","","262.444","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gadolinium silver aluminium (1/0.8/1.2)","","- Ag0.8 Al1.2 Gd -","- Ag0.8 Al1.2 Gd -","- Ag3.2 Al4.8 Gd4 -","4","0.25","","Kuz'ma, Yu.B.; Bilas, N.R.; Stel'makhovich, B.M.; Zhak, O.V.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509164","4.563","","7.18","","7.866","","90","","90","","90","","257.709","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ca Ag Ge","","- Ag Ca Ge -","- Ag Ca Ge -","- Ag4 Ca4 Ge4 -","4","0.25","","Fornasini, M.L.; Merlo, F.; Pani, M.","RMX compounds formed by alkaline earths, europium and ytterbium. IV: ternary phases with M = Ag and X =Si, Ge, Sn, Pb","Journal of Alloys Compd.","1996","232","","289","295","10.1016/0925-8388(95)01952-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509681","4.958","","8.063","","8.453","","90","","90","","90","","337.92","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ba -","- Ag2 Ba -","- Ag8 Ba4 -","4","0.25","","Meixner, J.; Koester, W.","Der Aufbau der Systeme des Europiums mit Silber, Kadmium und Indium sowie das System Kadmium-Strontium","Zeitschrift fuer Metallkunde","1965","45","","695","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509720","4.817","","7.71","","8.263","","90","","90","","90","","306.88","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Sr -","- Ag2 Sr -","- Ag8 Sr4 -","4","0.25","","Koester, W.; Meixner, J.","Der Aufbau der Systeme des Europiums mit Silber, Kadmium und Indium sowie das System Kadmium-Strontium","Zeitschrift fuer Metallkunde","1965","56","","695","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509726","4.671","","7.204","","8.178","","90","","90","","90","","275.189","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Yb -","- Ag2 Yb -","- Ag8 Yb4 -","4","0.25","","Palenzona, A.","The ytterbium-silver system","Journal of the Less-Common Metals","1970","21","","443","446","10.1016/0022-5088(70)90049-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509727","4.663","","7.211","","8.184","","90","","90","","90","","275.186","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Yb -","- Ag2 Yb -","- Ag8 Yb4 -","4","0.25","","Palenzona, A.; Iandelli, A.","On the occurence of the MX2 phases of the rare earths with the IB, IIB, and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","10.1016/0022-5088(68)90186-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509793","4.753","","7.488","","8.164","","90","","90","","90","","290.561","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Eu -","- Ag2 Eu -","- Ag8 Eu4 -","4","0.25","","Koester, W.; Meixner, J.","Der Aufbau der Systeme des Europiums mit Silber, Kadmium und Indium sowie das System Kadmium-Strontium","Zeitschrift fuer Metallkunde","1965","56","","695","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509794","4.785","","7.534","","8.215","","90","","90","","90","","296.152","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Eu -","- Ag2 Eu -","- Ag8 Eu4 -","4","0.25","","Debray, D.","Crystal chemistry of the CeCu2-type structure","Journal of the Less-Common Metals","1973","30","","237","237","10.1016/0022-5088(73)90110-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510114","3.676","","3.956","","39.72","","90","","90","","90","","577.618","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Au Cu -","- Au Cu -","- Au20 Cu20 -","20","1.25","","Iwasaki, H.; Ogawa, S.; Okamura, K.","Lattice modulation in the long period ordered alloys studied by X-ray diffraction. 2. Au Cu2","Journal of the Physical Society of Japan","1968","24","","569","579","10.1143/JPSJ.24.569","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510172","4.466","","7.123","","7.707","","90","","90","","90","","245.17","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Yb Au Ge","","- Au Ge Yb -","- Au Ge Yb -","- Au4 Ge4 Yb4 -","4","0.25","","Merlo, F.; Pani, M.; Canepa, F.; Fornasini, M.L.","Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems","Journal of Alloys Compd.","1998","264","","82","88","10.1016/S0925-8388(97)00278-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510368","4.6","","7.085","","8.055","","90","","90","","90","","262.521","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Au2 Ca -","- Au2 Ca -","- Au8 Ca4 -","4","0.25","","Bruzzone, G.","Alcuni composti intermetrallici M X2 formati dal Ca, Sr e Ba","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1970","48","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510458","4.672","","7.04","","8.178","","90","","90","","90","","268.982","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Au2 Pr -","- Au2 Pr -","- Au8 Pr4 -","4","0.25","","Palenzona, A.; McMasters, O.D.; Gschneidner, K.A.jr.; Bruzzone, G.","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",""
"1510467","4.7","","7.489","","8.234","","90","","90","","90","","289.823","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Au2 Sr -","- Au2 Sr -","- Au8 Sr4 -","4","0.25","","Bruzzone, G.","Alcuni composti intermetallici MX2 formati dal Ca, Sr e Ba","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1970","48","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511257","5.057","","6.98","","26.271","","90","","90","","90","","927.31","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd Ni4 B","","- B Nd Ni4 -","- B Nd Ni4 -","- B12 Nd12 Ni48 -","12","0.75","","Potel, M.; Godart, C.; Salamakha, P.; Noel, H.; Mazumdar, C.; Sologub, O.L.; Alleno, E.","Nd Ni4 B, new structure type of the ternary intermetallic borides","Journal of Alloys Compd.","2003","351","","190","195","10.1016/S0925-8388(02)01086-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511546","13.535","","9.35","","11.194","","90","","90","","90","","1416.63","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Mg8 (B N2)5 I","","- B5 I Mg8 N10 -","- B5 I Mg8 N10 -","- B20 I4 Mg32 N40 -","4","0.25","","Kuetuekcue, M.N.; Cardoso Gil, R.; Borrmann, H.; Carillo-Cabrera, W.; Somer, M.","Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1015","1021","10.1002/zaac.200400055","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517604","17.993","0.0006","7.2497","0.0003","11.5979","0.0004","90","","90","","90","","1512.87","0.1","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H7.5 Co N O8.25 -","- C8 H7.5 Co N O8.25 -","- C32 H30 Co4 N4 O33 -","4","0.25","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0489","0.0411","","","0.1288","0.1343","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1519044","5.49251","0.00006","7.76023","0.00009","5.52759","0.00006","90","","90","","90","","235.603","0.005","","","300","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- Ba0.23 La0.12 Mn O3 Pr0.58 Sr0.07 -","- Ba0.23 La0.12 Mn O3 Pr0.58 Sr0.07 -","- Ba0.92 La0.48 Mn4 O12 Pr2.32 Sr0.28 -","4","0.25","","Lide M. Rodriguez-Martinez; Helmut Ehrenberg; J. Paul Attfield","Disorder effects on structural and electronic transitions in high tolerance factor manganite perovskites","Solid State Sciences","1998","2","","11","16","","powder diffraction","x-ray","1.20696","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521446","10.452","","13.429","","6.528","","90","","90","","90","","916.269","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Sr Fe3 (P O4)3","","- Fe3 O12 P3 Sr -","- Fe3 O12 P3 Sr -","- Fe12 O48 P12 Sr4 -","4","0.25","","Korzenski, M.B.; Long, G.J.; Kolis, J.W.","Hydrothermal synthesis, structural characterization, and physical properties of a new mixed valence iron phosphate, Sr Fe3 (P O4)3","Journal of Solid State Chemistry","1999","147","","390","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521669","10.611","","18.37","","13.271","","90","","90","","90","","2586.84","","","","","","","","","","","","","8","I m m a","-I 2b 2","74","","Cs2 Co (S8 (Re (C N))6) (H2 O)2","","- C6 H4 Co Cs2 N6 O2 Re6 S8 -","- C6 Co Cs2 N6 O2 Re6 S8 -","- C24 Co4 Cs8 N24 O8 Re24 S32 -","4","0.25","","Naumov, N.G.; Virovets, A.V.; Artemkina, S.B.; Mironov, Yu.I.; Fedorov, V.E.","Synthesis and crystal structure of new layered cluster cyanides Cs2 M (Re6 S8 (C N)6) . 2(H2 O) (M = Mn(2+), Fe(2+), Co(2+), Cd(2+)): size control over framework dimension","Ukrains'kii Khimicheskii Zhurnal (Russian Edition)","1999","65","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521714","6.1536","","8.6855","","6.1831","","90","","90","","90","","330.469","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ba ((Ce0.8 Zr0.2) O3)","","- Ba Ce0.8 O3 Zr0.2 -","- Ba Ce0.8 O3 Zr0.2 -","- Ba4 Ce3.2 O12 Zr0.8 -","4","0.25","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522111","4.094","","4.074","","13.842","","90","","90","","90","","230.87","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Y (Ga0.363 Ge1.367)","","- Ga0.363 Ge1.367 Y -","- Ga0.364 Ge1.366 Y -","- Ga1.456 Ge5.464 Y4 -","4","0.25","","Venturini, G.; Verniere, A.","New Al B2 - and Gd Si2 - type derivative compounds in the Y Ga - Ge system","Journal of Alloys Compd.","2000","298","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522112","4.098","","4.077","","13.93","","90","","90","","90","","232.736","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Y (Ga0.555 Ge1.195)","","- Ga0.555 Ge1.195 Y -","- Ga0.555 Ge1.195 Y -","- Ga2.22 Ge4.78 Y4 -","4","0.25","","Venturini, G.; Verniere, A.","New Al B2 - and Gd Si2 - type derivative compounds in the Y Ga - Ge system","Journal of Alloys Compd.","2000","298","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522115","4.128","","4.101","","13.912","","90","","90","","90","","235.515","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gd (Ga0.291 Ge1.541)","","- Ga0.291 Gd Ge1.541 -","- Ga0.291 Gd Ge1.541 -","- Ga1.164 Gd4 Ge6.164 -","4","0.25","","Venturini, G.; Verniere, A.","Crystallographic data and magnetic properties of new Th Si2 and Gd Si2 derivative compounds in the Gd - Ga - Ge system","Journal of Alloys Compd.","2000","305","","7","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522116","4.132","","4.118","","13.92","","90","","90","","90","","236.857","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gd (Ga0.339 Ge1.497)","","- Ga0.339 Gd Ge1.497 -","- Ga0.339 Gd Ge1.497 -","- Ga1.356 Gd4 Ge5.988 -","4","0.25","","Venturini, G.; Verniere, A.","Crystallographic data and magnetic properties of new Th Si2 and Gd Si2 derivative compounds in the Gd - Ga - Ge system","Journal of Alloys Compd.","2000","305","","7","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522117","4.122","","4.089","","13.997","","90","","90","","90","","235.917","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gd (Ga0.373 Ge1.415)","","- Ga0.373 Gd Ge1.415 -","- Ga0.373 Gd Ge1.415 -","- Ga1.492 Gd4 Ge5.66 -","4","0.25","","Venturini, G.; Verniere, A.","Crystallographic data and magnetic properties of new Th Si2 and Gd Si2 derivative compounds in the Gd - Ga - Ge system","Journal of Alloys Compd.","2000","305","","7","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522118","4.128","","4.1","","14.036","","90","","90","","90","","237.556","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gd (Ga0.478 Ge1.406)","","- Ga0.478 Gd Ge1.406 -","- Ga0.478 Gd Ge1.406 -","- Ga1.912 Gd4 Ge5.624 -","4","0.25","","Venturini, G.; Verniere, A.","Crystallographic data and magnetic properties of new Th Si2 and Gd Si2 derivative compounds in the Gd - Ga - Ge system","Journal of Alloys Compd.","2000","305","","7","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522119","4.141","","4.138","","13.962","","90","","90","","90","","239.245","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gd (Ga0.553 Ge1.335)","","- Ga0.553 Gd Ge1.335 -","- Ga0.553 Gd Ge1.335 -","- Ga2.212 Gd4 Ge5.34 -","4","0.25","","Venturini, G.; Verniere, A.","Crystallographic data and magnetic properties of new Th Si2 and Gd Si2 derivative compounds in the Gd - Ga - Ge system","Journal of Alloys Compd.","2000","305","","7","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522175","4.302","","6.88","","7.347","","90","","90","","90","","217.455","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(Ga Ni) Tb","","- Ga Ni Tb -","- Ga Ni Tb -","- Ga4 Ni4 Tb4 -","4","0.25","","Kotsanidis, P.A.; Yakinthos, J.K.","Classical antiferromagnetism in the Tb Ni Ga compound","Journal of Magnetism and Magnetic Materials","1989","81","","159","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522356","4.8163","","5.2478","","7.182","","90","","90","","90","","181.525","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Mn2 U -","- Mn2 U -","- Mn8 U4 -","4","0.25","","Lawson, A.C.jr.; Smith, J.L.; O'Rourke, J.A.; Willis, J.O.; Faber, J.; Hitterman, R.L.","Orthorhombic structure of U Mn2 at low temperatures","Journal of the Less-Common Metals","1985","107","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522399","4.2","","6.879","","8.067","","90","","90","","90","","233.07","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ga2 Tm -","- Ga2 Tm -","- Ga8 Tm4 -","4","0.25","","Luescher, H.; Girgis, K.; Fischer, P.","Crystallographic studies in the system Tm Alx Ga2-x","Journal of the Less-Common Metals","1982","83","","23","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523235","4.14","","6.614","","7.914","","90","","90","","90","","216.701","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ga2 Sc -","- Ga2 Sc -","- Ga8 Sc4 -","4","0.25","","Belyavina, N.N.; Markiv, V.Ya.","Crystal structure of the Sc Ga2 compound","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1980","42","","91","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523311","4.934","","7.697","","8.472","","90","","90","","90","","321.741","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Hg2 Sr -","- Hg2 Sr -","- Hg8 Sr4 -","4","0.25","","Bruzzone, G.","Alcuni composti intermetallici M X2 formati dal Ca, Sr e Ba","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1970","48","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523448","4.47","","7.048","","7.611","","90","","90","","90","","239.781","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ho Zn2 -","- Ho Zn2 -","- Ho4 Zn8 -","4","0.25","","Debray, D.; Sougi, M.","Magnetic structure of Ho Zn2","Journal of Chemical Physics","1972","57","","2156","2159","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523449","4.597","","7.408","","7.555","","90","","90","","90","","257.282","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Nd Zn2 -","- Nd Zn2 -","- Nd4 Zn8 -","4","0.25","","Debray, D.; Sougi, M.","Magnetic structure of NdZn2","Journal of Chemical Physics","1973","58","","1783","1786","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523713","4.41","","4.3","","14.19","","90","","90","","90","","269.085","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","La Ge1.75","","- Ge1.75 La -","- Ge1.75 La -","- Ge7 La4 -","4","0.25","","Gladyshevskii, E.I.","Crystal structure of the digermanide of rare earth elements","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","568","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524061","4.139","","6.517","","7.44","","90","","90","","90","","200.686","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(Co Ga3) Zr2","","- Co Ga3 Zr2 -","- Co Ga3 Zr2 -","- Co2 Ga6 Zr4 -","2","0.125","","Belyavina, N.N.; Markiv, V.Ya.; Pilyavsky, V.S.","Crystal structure of the Zr2 Co Ga3 compound and its analogues","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1979","41","","144","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524249","4.639","","7.552","","7.51","","90","","90","","90","","263.103","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ce Zn2 -","- Ce Zn2 -","- Ce4 Zn8 -","4","0.25","","Debray, D.; Sougi, M.; Meriel, P.","Magnetic structures of Ce Zn2 and Tb Zn2","Journal of Chemical Physics","1972","56","","4325","4328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524587","4.291","","6.899","","7.386","","90","","90","","90","","218.652","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Yb -","- Cu2 Yb -","- Cu8 Yb4 -","4","0.25","","Iandelli, A.; Palenzona, A.","The ytterbium-copper system","Journal of the Less-Common Metals","1971","25","","333","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524728","5.046","","8.008","","8.451","","90","","90","","90","","341.491","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cd2 Sr -","- Cd2 Sr -","- Cd8 Sr4 -","4","0.25","","Koester, W.; Meixner, J.","Der Aufbau der Systeme des Europiums mit Silber, Kadmium und Indium sowie das System Kadmium-Strontium","Zeitschrift fuer Metallkunde","1965","56","","695","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524859","4.637","","7.614","","7.62","","90","","90","","90","","269.033","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Eu Ga2 -","- Eu Ga2 -","- Eu4 Ga8 -","4","0.25","","Markiv, V.Ya.; Belyavina, N.N.; Zhunkovskaya, T.I.","Crystal structure of the compound Eu Ga2","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1982","44","","84","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524875","4.229","","6.45","","7.325","","90","","90","","90","","199.804","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(Cu0.95 Ga1.05) Sc","","- Cu0.95 Ga1.05 Sc -","- Cu0.96 Ga1.04 Sc -","- Cu3.84 Ga4.16 Sc4 -","4","0.25","","Markiv, V.Ya.; Belyavina, N.N.; Gavrilenko, I.S.","Crystal structure and some ternary compounds in the system Sc - Cu - Ga","Izvestiya Akademii Nauk SSSR, Metally","1984","1984","","215","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525291","4.23","","6.82","","7.29","","90","","90","","90","","210.306","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(Cu0.7 Ni0.3)2 Tb","","- Cu1.4 Ni0.6 Tb -","- Cu1.4 Ni0.6 Tb -","- Cu5.6 Ni2.4 Tb4 -","4","0.25","","Sima, M.; Smetana, Z.","Influence of Ni-concentration on the magnetic structure in Tb (Cu, Ni)2 system","Solid State Communications","1984","49","","981","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525314","4.28","","6.76","","7.27","","90","","90","","90","","210.341","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Ho -","- Cu2 Ho -","- Cu8 Ho4 -","4","0.25","","Smetana, Z.; Sima, V.; Lebech, B.","Neutron diffraction study of the magnetic structure of Ho Cu2","Journal of Magnetism and Magnetic Materials","1986","59","","145","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526166","13.027","","7.377","","7.58","","90","","90","","90","","728.439","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Ce3 Pd5 Si -","- Ce3 Pd5 Si -","- Ce12 Pd20 Si4 -","4","0.25","","Gribanov, A.V.; Seropegin, Yu.D.; Kubarev, O.L.; Aksel'rud, L.G.; Bodak, O.I.","New ternary silicide of cerium and palladium Ce3 Pd5 Si","Journal of Alloys Compd.","2001","317","","324","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526242","6.016","","5.712","","16.606","","90","","90","","90","","570.638","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Ga Mg Mo4 O7 -","- Ga Mg Mo4 O7 -","- Ga4 Mg4 Mo16 O28 -","4","0.25","","Hainz, M.; Boller, H.","Ga Mg Mo4 O7 and Fe2 Mo4 O7 - two low-valent molybdenum oxides with a fully ordered Sc0.75 Zn1.25 Mo4 O7 type structure","Journal of Alloys Compd.","2001","317","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526244","6.018","","5.782","","16.901","","90","","90","","90","","588.088","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Fe2 Mo4 O7 -","- Fe2 Mo4 O7 -","- Fe8 Mo16 O28 -","4","0.25","","Hainz, M.; Boller, H.","Ga Mg Mo4 O7 and Fe2 Mo4 O7 - two low-valent molybdenum oxides with a fully ordered Sc0.75 Zn1.25 Mo4 O7 type structure","Journal of Alloys Compd.","2001","317","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526381","5.667","","15.666","","17.534","","90","","90","","90","","1556.66","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","La5 Cu6 O4 S7","","- Cu6 La5 O4 S7 -","- Cu6 La5 O4 S7 -","- Cu24 La20 O16 S28 -","4","0.25","","Huang, F.Q.; Brazis, P.; Kannewurf, C.R.; Ibers, J.A.","Synthesis, structure, electrical conductivity, and band structure of the rare-earth copper oxychalcogenide La5 Cu6 O4 S7","Journal of Solid State Chemistry","2000","155","","366","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","147552","2020-10-21","18:00:00",""
"1526801","7.173","","7.114","","6.268","","90","","90","","90","","319.848","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Dy Cr O4","","- Cr Dy O4 -","- Cr Dy O4 -","- Cr4 Dy4 O16 -","4","0.25","","Tezuka, K.; Hinatsu, Y.","Magnetic and crystallographic properties of Ln Cr O4 (Ln = Nd, Sm and Dy)","Journal of Solid State Chemistry","2001","160","","362","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527280","4.462","","7.231","","7.745","","90","","90","","90","","249.89","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ca (Ga0.8 Pd0.2)1.48","","- Ca Ga1.184 Pd0.296 -","- Ca Ga1.184 Pd0.296 -","- Ca4 Ga4.736 Pd1.184 -","4","0.25","","Dascoulidou-Gritner, K.; Schuster, H.U.","Darstellung und Kristallstrukturen der Verbindungen Ca Pt Ga, Ca Pt In und Ca Pd.4 Ga1.6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1151","1156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527285","4.481","","7.122","","7.576","","90","","90","","90","","241.778","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Tb Zn2 -","- Tb Zn2 -","- Tb4 Zn8 -","4","0.25","","Debray, D.; Meriel, P.; Sougi, M.","Magnetic structures of Ce Zn2 and Tb Zn2","Journal of Chemical Physics","1972","56","","4325","4328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527374","4.552","","7.299","","7.59","","90","","90","","90","","252.178","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Sm Zn2 -","- Sm Zn2 -","- Sm4 Zn8 -","4","0.25","","Fornasini, M.L.; Merlo, F.","Sui composti di formula M X2 formati dalle terre rare con lo zinco","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1967","43","","357","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527433","4.3843","","7.0326","","7.4194","","90","","90","","90","","228.763","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Nd -","- Cu2 Nd -","- Cu8 Nd4 -","4","0.25","","Gratz, E.; Loewenhaupt, M.; Frick, B.; Divis, M.; Steiner, W.; Bauer, E.; Mueller, H.; Nowotny, H.; Pillmayr, N.","Structural, magnetic, electronic and transport properties of Nd Cu2","Journal of Physics: Condensed Matter","1991","3","","9297","9318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527679","4.262","","6.789","","7.305","","90","","90","","90","","211.368","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Er (Ga Ni)","","- Er Ga Ni -","- Er Ga Ni -","- Er4 Ga4 Ni4 -","4","0.25","","Kotsanidis, P.; Yakinthos, J.K.; Semitelou, I.; Roudaut, E.","Transversal modulated magnetic structure of Er Ni Ga","Journal of Magnetism and Magnetic Materials","1992","116","","95","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527680","4.272","","6.827","","7.359","","90","","90","","90","","214.625","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Dy (Ga Ni)","","- Dy Ga Ni -","- Dy Ga Ni -","- Dy4 Ga4 Ni4 -","4","0.25","","Kotsanidis, P.A.; Yakinthos, Y.K.; Nguyen, N.; Ressouche, E.","Transversal sin-modulated magnetic structure of Dy Ni Ga","Journal of Magnetism and Magnetic Materials","1994","131","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527800","5.186","","8.497","","8.798","","90","","90","","90","","387.688","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Ba Cd Pb -","- Ba Cd Pb -","- Ba4 Cd4 Pb4 -","4","0.25","","Merlo, F.; Pani, M.; Fornasini, M.L.","R M X compounds formed by alkaline earths, europium and ytterbium - II. Ternary phases with M= Zn, Cd and X= Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1991","171","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527805","4.922","","8.146","","8.58","","90","","90","","90","","344.012","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(Cd Sn) Sr","","- Cd Sn Sr -","- Cd Sn Sr -","- Cd4 Sn4 Sr4 -","4","0.25","","Merlo, F.; Pani, M.; Fornasini, M.L.","R M X compounds formed by alkaline earths, europium and ytterbium- II, Ternary phases with M= Zn, Cd and X= Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1991","171","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527806","5.122","","8.477","","8.594","","90","","90","","90","","373.145","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba (Cd Sn)","","- Ba Cd Sn -","- Ba Cd Sn -","- Ba4 Cd4 Sn4 -","4","0.25","","Merlo, F.; Pani, M.; Fornasini, M.L.","R M X compounds formed by alkaline earths, europium and ytterbium- II. Ternary phases with M= Zn, Cd and X= Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1991","171","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528110","4.755","","7.511","","8.302","","90","","90","","90","","296.504","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Ca2 Cu In3 -","- Ca2 Cu1.04 In2.96 -","- Ca4 Cu2.08 In5.92 -","2","0.125","","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",""
"1528128","6.007","","8.476","","6.063","","90","","90","","90","","308.7","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba (Pb O3)","","- Ba O3 Pb -","- Ba O3 Pb -","- Ba4 O12 Pb4 -","4","0.25","","Thornton, G.; Jacobson, A.J.","A powder neutron diffraction determination of the structure of Ba Pb O3 at 4.2K","Materials Research Bulletin","1976","11","","837","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528160","4.304","","6.99","","7.431","","90","","90","","90","","223.561","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(Ga0.6 Ni0.4)2 Y","","- Ga1.2 Ni0.8 Y -","- Ga1.2 Ni0.8 Y -","- Ga4.8 Ni3.2 Y4 -","4","0.25","","Vasilechko, L.O.; Grin', Yu.; Fedorchuk, A.A.","New ternary gallides with the K Hg2 and Ca In2 structures","Neorganicheskie Materialy","1994","30","","1409","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530130","7.3067","","7.3158","","10.3323","","90","","90","","90","","552.306","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li2 Fe Cl4","","- Cl4 Fe Li2 -","- Cl4 Fe Li2 -","- Cl16 Fe4 Li8 -","4","0.25","","Kanno, R.; Takeda, Y.; Suyama, R.; Yamamoto, O.; Takahashi, A.; Kume, S.","Structure, ionic conductivity, and phase transformation in new polymorphs of the double chloride spinel, Li2 Fe Cl4","Journal of Solid State Chemistry","1988","72","","363","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530132","7.1772","","7.2478","","10.2785","","90","","90","","90","","534.676","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li2 (Co Cl4)","","- Cl4 Co Li2 -","- Cl4 Co Li2 -","- Cl16 Co4 Li8 -","4","0.25","","Kanno, R.; Yamamoto, O.; Takeda, Y.","Structure, ionic conductivity and phase transformation of double chloride spinels","Solid State Ionics","1988","28","","1276","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530168","10.488","","13.213","","6.455","","90","","90","","90","","894.521","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Na V3 (P3 O12)","","- Na O12 P3 V3 -","- Na O12 P3 V3 -","- Na4 O48 P12 V12 -","4","0.25","","Kinomura, N.; Muto, F.; Kumada, N.; Matsui, N.","Synthesis and Crystal Structure of Na V3 P3 O12: A Stuffed Structure of alpha-Cr P O4","Journal of Solid State Chemistry","1989","79","","232","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530561","4.206","","4.116","","20.89","","90","","90","","90","","361.646","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- La Re2 Si2 -","- La Re2 Si2 -","- La4 Re8 Si8 -","4","0.25","","Pecharskii, V.K.; Bodak, O.I.; Gladyshevskii, E.I.","Crystal structure of the compound La Re2 Si2","Kristallografiya","1977","22","","630","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530749","12.315","","16.302","","12.215","","90","","90","","90","","2452.27","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(P Cl4) (I Cl4)","","- Cl8 I P -","- Cl8 I P -","- Cl64 I8 P8 -","8","0.5","","Shamir, J.; Schneider, S.; Bino, A.; Cohen, S.","Preparation, crystal structure and Raman spectrum of tetrachloro phosphonium tetrachloro-iodate (P Cl4) (I Cl/4)","Inorganica Chimica Acta","1986","114","","35","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531094","5.537","","7.8224","","5.5554","","90","","90","","90","","240.619","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(La0.3 Sr0.7) (Mg0.15 Ti0.85) O3","","- La0.3 Mg0.15 O3 Sr0.7 Ti0.85 -","- La0.3 Mg0.15 O3 Sr0.7 Ti0.85 -","- La1.2 Mg0.6 O12 Sr2.8 Ti3.4 -","4","0.25","","Avdeev, M.; Seabra, M.P.; Ferreira, V.M.","Structure evolution in La (Mg0.5 Ti0.5) O3 - Sr Ti O3 system","Materials Research Bulletin","2002","37","","1459","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","156418","2020-10-21","18:00:00",""
"1531272","4.0684","","4.0171","","13.499","","90","","90","","90","","220.616","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Gd Si1.85 -","- Gd Si1.85 -","- Gd4 Si7.4 -","4","0.25","","Demchenko, P.; Bodak, O.; Muratova, L.","X-ray investigation of the Gd - Zn - Si system","Journal of Alloys Compd.","2002","346","","170","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531785","5.492","","6.457","","14.124","","90","","90","","90","","500.863","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Cs Mo O2 F3","","- Cs F3 Mo O2 -","- Cs F3 Mo O2 -","- Cs4 F12 Mo4 O8 -","4","0.25","","Mattes, R.; Mueller, G.; Becher, H.J.","Schwingungsspektren und Struktur von Dioxotrifluoromolybdaten und -wolframaten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","389","","177","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532097","4.462","","7.222","","7.644","","90","","90","","90","","246.325","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd (Ru0.6 Ge0.4)2","","- Ge0.8 Nd Ru1.2 -","- Ge0.8 Nd Ru1.2 -","- Ge3.2 Nd4 Ru4.8 -","4","0.25","","Rizzoli, C.; Sologub, O.L.; Salamakha, P.","Crystal structure of the Nd (Ru0.6 Ge0.4)2 and Er Ru Ge compounds","Journal of Alloys Compd.","2003","350","","160","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532183","7.79423","","5.49896","","5.53806","","90","","90","","90","","237.362","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(La0.95 Sr0.05) (Ga0.89 Mg0.11) O2.79","","- Ga0.89 La0.95 Mg0.11 O2.79 Sr0.05 -","- Ga0.893 La0.95 Mg0.107 O2.79 Sr0.05 -","- Ga3.572 La3.8 Mg0.428 O11.16 Sr0.2 -","4","0.25","","Vasylechko, L.; Vashook, V.; Niewa, R.; Senyshin, A.; Savytskii, D.; Matkovskii, A.; Knapp, M.; Ullmann, H.; Berkowski, M.; Bismayer, U.","Crystal structure, thermal expansion and conductivity of anisotropic La1-x Srx Ga1-2x Mg2x O3-y (x = 0.05, 0.1) single crystals","Journal of Solid State Chemistry","2003","172","","396","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","157844","2020-10-21","18:00:00",""
"1532349","5.4695","","7.7354","","5.5036","","90","","90","","90","","232.851","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","(Pr0.5 Sr0.5) Fe O2.983","","- Fe O2.983 Pr0.5 Sr0.5 -","- Fe O2.982 Pr0.5 Sr0.5 -","- Fe4 O11.928 Pr2 Sr2 -","4","0.25","","Stange, M.; Linden, J.; Kjekshus, A.; Weller, M.T.; Binsted, N.; Fjellvag, H.; Hauback, B.C.","Structural aspects of Pr1-x Srx Fe O3-w","Journal of Solid State Chemistry","2003","173","","148","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533647","4.21572","","4.19796","","14.1025","","90","","90","","90","","249.578","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd (Ga0.86 Si1.14)","","- Ga0.86 Nd Si1.14 -","- Ga0.86 Nd Si1.14 -","- Ga3.44 Nd4 Si4.56 -","4","0.25","","Tokaychuk, Ya.O.; Fedorchuk, A.O.; Bodak, O.I.; Mokra, I.R.","Phase relations in the Nd - Ga - Si system at 870 K","Journal of Alloys Compd.","2004","367","","64","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533651","4.2087","","4.20268","","14.078","","90","","90","","90","","249.009","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd (Ga0.71 Si1.29)","","- Ga0.71 Nd Si1.29 -","- Ga0.71 Nd Si1.29 -","- Ga2.84 Nd4 Si5.16 -","4","0.25","","Tokaychuk, Ya.O.; Bodak, O.I.; Fedorchuk, A.O.; Mokra, I.R.","Phase relations in the Nd - Ga - Si system at 870 K","Journal of Alloys Compd.","2004","367","","64","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533813","5.4902","","7.7618","","5.5132","","90","","90","","90","","234.939","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","(Nd0.7 Ba0.3) (Mn O3)","","- Ba0.3 Mn Nd0.7 O3 -","- Ba0.3 Mn Nd0.7 O3 -","- Ba1.2 Mn4 Nd2.8 O12 -","4","0.25","","Suard, E.; Fauth, F.; Martin, C.; Maignan, A.; Keller, L.; Millange, F.","Role of the A-site cations on the magnetic structures and transport properties in the Nd0.7 Ba0.3-y Sry Mn O3 (0 <= y <= 0.2) perovskite","Journal of Magnetism and Magnetic Materials","2003","264","","221","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533834","4.469","","7.214","","7.651","","90","","90","","90","","246.663","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd (Pd0.464 Ge0.536)2","","- Ge1.072 Nd Pd0.928 -","- Ge1.072 Nd Pd0.928 -","- Ge4.288 Nd4 Pd3.712 -","4","0.25","","Bocelli, G.; Sologub, O.L.; Salamakha, P.","X-ray investigations of ternary R3 Pd4 Ge4 samples","Journal of Alloys Compd.","2003","360","","L3","L6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534454","5.525","","6.052","","8.964","","90","","90","","90","","299.732","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Tl Cu (Cu O2)","","- Cu2 O2 Tl -","- Cu2 O2 Tl -","- Cu8 O8 Tl4 -","4","0.25","","Adam, A.; Felser-Wenz, C.; Schuster, H.U.; Hoppe, R.","Darstellung und Kristallstruktur von Tl Cu (Cu O2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","605","","157","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535148","10.732","","6.941","","6.814","","90","","90","","90","","507.58","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cu F (As F6)","","- As Cu F7 -","- As Cu F7 -","- As4 Cu4 F28 -","4","0.25","","Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.","Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6","Chemistry - A European Journal","2004","10","","5052","5058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536228","7.092","","10.092","","7.337","","90","","90","","90","","525.127","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Na2 Zn (Al F7)","","- Al F7 Na2 Zn -","- Al F7 Na2 Zn -","- Al4 F28 Na8 Zn4 -","4","0.25","","Dahlke, P.; Babel, D.","Die Kristallstrukturen der Weberite Na2CuScF7 und Na2ZnAlF7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1692","1697","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536316","7.0637","","10.1308","","6.7745","","90","","90","","90","","484.79","","","","","","","","","","","","Synthetic","5","I m m a","-I 2b 2","74","","Mg Al F5 (H2 O)2","Leonardsenite","- Al F5 H4 Mg O2 -","- Al F5 H4 Mg O2 -","- Al4 F20 H16 Mg4 O8 -","4","0.25","","Weil, M.; Werner, F.","The thermal dehydration of magnesium aluminum pentafluoride dihydrate: crystal structures of Mg Al F5 (H2 O) and Mg Al F5","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2001","132","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1536659","4.617","","7.614","","7.77","","90","","90","","90","","273.145","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Eu Zn Ga","","- Eu Ga Zn -","- Eu Ga Zn -","- Eu4 Ga4 Zn4 -","4","0.25","","Poettgen, R.; Kotzyba, G.; Eckert, H.; Schappacher, F.M.; Mosel, B.D.; Grin', Yu.","Structure and properties of Eu Zn Ga","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1299","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537468","7.597","","20.29","","7.554","","90","","90","","90","","1164.4","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Hg2 (Cl O4)2 (H2 O)4","","- Cl2 H8 Hg2 O12 -","- Cl2 Hg2 O12 -","- Cl8 Hg8 O48 -","4","0.25","","Johansson, G.","An X-Ray Investigation of the Structure of the Hg2 -Ion in Solution","Acta Chemica Scandinavica (1-27,1973-42,1988)","1966","20","","553","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537554","8.1511","","10.5502","","13.9784","","90","","90","","90","","1202.08","","","","","","","","","","","","","8","I m m a","-I 2b 2","74","","Na (K0.8 Ba0.1 Na0.1)2 (Ti0.7 Nb0.25 Fe0.05)2 (Si2 O7)2","","- Ba0.2 Fe0.1 K1.6 Na1.2 Nb0.5 O14 Si4 Ti1.4 -","- Ba0.2 Fe0.1 K1.6 Na1.2 Nb0.5 O14 Si4 Ti1.4 -","- Ba0.8 Fe0.4 K6.4 Na4.8 Nb2 O56 Si16 Ti5.6 -","4","0.25","","Krivovichev, S.V.; Yakovenchuk, V.N.; Pakhomovskii, Ya.A.","Topology and symmetry of titanosilicate framework in the crystal structure of shcherbakovite, Na (K, Ba)2 (Ti, Nb)2 O2 (Si4 O12)","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","2004","","55","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","165783","2020-10-21","18:00:00",""
"1537582","5.9398","","5.8099","","8.3033","","90","","90","","90","","286.544","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Li0.5 Co1.25 (V O4)","","- Co1.25 Li0.5 O4 V -","- Co1.239 Li0.549 O4 V1.005 -","- Co4.956 Li2.196 O16 V4.02 -","4","0.25","","Leonidova, O.N.; Voronin, V.I.; Leonidov, I.A.; Slobodin, B.V.; Samigullina, R.F.","The crystal structure of double vanadates Li Co V O4 and Li0.5 Co1.25 V O4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2003","44","","277","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537738","5.8196","","11.8056","","8.3263","","90","","90","","90","","572.049","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Mg3 (Ga2 Ge O8)","","- Ga2 Ge Mg3 O8 -","- Ga2 Ge Mg3 O8 -","- Ga8 Ge4 Mg12 O32 -","4","0.25","","Barbier, J.; Hyde, B.G.","Spinelloid phases in the system Mg Ga2 O4 - Mg2 Ge O4","Physics and Chemistry of Minerals (Germany)","1986","13","","382","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537766","4.677","","7.615","","7.749","","90","","90","","90","","275.983","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- La Zn2 -","- La Zn2 -","- La4 Zn8 -","4","0.25","","Debray, D.","Crystal chemistry of the CeCu2-type structure","Journal of the Less-Common Metals","1973","30","","237","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538519","7.24","","14.32","","8.74","","90","","90","","90","","906.135","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(Ni (N H3)) (C N)2 (H2 O).25","","- C2 H3.5 N3 Ni O0.25 -","- C2 N3 Ni O0.25 -","- C16 N24 Ni8 O2 -","8","0.5","","Rayner, J.H.; Powell, H.M.","Crystal structure of a hydrated nickel cyanide ammoniate","Journal of the Chemical Society","1958","1958","","3412","3418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538905","5.816","","10.399","","8.182","","90","","90","","90","","494.852","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ho.63 Al.74 B14","","- Al0.74 B14 Ho0.63 -","- Al0.74 B14 Ho0.63 -","- Al2.96 B56 Ho2.52 -","4","0.25","","Kuz'ma, Yu.B.; Gurin, V.N.; Korsukova, M.M.; Chikhrii, S.I.; Chaban, N.F.","Neue Alumoboride von Seltenerdmetallen mit einer Struktur vom Typ Mg Al B14.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1986","1989","","","","","","","","","","","","","","","","","","","","","","has coordinates","167617","2020-10-21","18:00:00",""
"1539733","4.492","","7.142","","7.595","","90","","90","","90","","243.662","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Tb Zn2 -","- Tb Zn2 -","- Tb4 Zn8 -","4","0.25","","Debray, D.","Crystal chemistry of the CeCu2-type structure","Journal of the Less-Common Metals","1973","30","","237","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539735","4.433","","6.949","","7.597","","90","","90","","90","","234.025","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Tm Zn2 -","- Tm Zn2 -","- Tm4 Zn8 -","4","0.25","","Debray, D.","Crystal chemistry of the CeCu2-type structure","Journal of the Less-Common Metals","1973","30","","237","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540291","4.125","","4.1984","","13.922","","90","","90","","90","","241.107","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ce Si1.68 -","- Ce Si1.68 -","- Ce4 Si6.72 -","4","0.25","","Kohgi, M.; Izumi, T.; Ito, M.; Satoh, T.; Ishigaki, T.; Asano, H.","Crystal structure analysis of the dense Kondo system CeSix","Journal of Magnetism and Magnetic Materials","1990","90","","433","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540306","5.8212","","10.3837","","8.1762","","90","","90","","90","","494.215","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Tm0.524 Al0.58 B14","","- Al0.58 B14 Tm0.524 -","- Al0.58 B14 Tm0.524 -","- Al2.32 B56 Tm2.096 -","4","0.25","","Korsukova, M.M.; Gurin, V.N.; Yu, Y.; Tergenius, L.E.; Lundstroem, T.","Crystal structure refinement of the new compound Tm Al B14","Journal of Alloys Compd.","1993","190","","185","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","169561","2020-10-21","18:00:00",""
"1540348","5.816","","10.399","","8.182","","90","","90","","90","","494.852","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Al Ho B14","","- Al B14 Ho -","- Al B14 Ho -","- Al4 B56 Ho4 -","4","0.25","","Kuz'ma, Yu.B.; Gurin, V.N.; Chikhrii, S.I.; Korsukova, M.M.; Chaban, N.F.","Neue Alumoboride von Seltenerdmetallen mit einer Struktur vom Typ Mg Al B14.","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1988","24","","1705","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541713","10.624","","14.999","","19.013","","90","","90","","90","","3029.71","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Mn2 (Se4 (Re (C N)3)4) (H2 O)6","","- C12 H12 Mn2 N12 O6 Re4 Se4 -","- C12 Mn2 N12 O6 Re4 Se4 -","- C48 Mn8 N48 O24 Re16 Se16 -","4","0.25","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173156","2020-10-21","18:00:00",""
"1541714","10.684","","15.528","","19.118","","90","","90","","90","","3171.7","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Cd2 (Te4 (Re (C N)3)4) (H2 O)6","","- C12 H12 Cd2 N12 O6 Re4 Te4 -","- C12 Cd2 N12 O6 Re4 Te4 -","- C48 Cd8 N48 O24 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Sheldrick, W.S.; Virovets, A.V.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173158","2020-10-21","18:00:00",""
"1541715","10.19","","15.181","","18.953","","90","","90","","90","","2931.92","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Cu2 (Te4 (Re (C N)3)4) (H2 O)4","","- C12 H8 Cu2 N12 O4 Re4 Te4 -","- C12 Cu2 N12 O4 Re4 Te4 -","- C48 Cu8 N48 O16 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173160","2020-10-21","18:00:00",""
"1544344","10.40583","0.00011","12.89952","0.00011","6.29933","0.00006","90","","90","","90","","845.56","0.014","","","","","","","","","","","","3","I m m a","-I 2b 2","74","alpha-CrPO4, J. P. Attfield et al., Na","","","- Cr O4 P -","- Cr O4 P -","- Cr12 O48 P12 -","12","0.75","","Attfield, J.P.; Sleight, A.W.; Cheetham, A.K.","Structure determination of alpha-CrPO4 from powder synchrotron X-ray data","Nature","1986","322","","620","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","187513","2020-10-21","18:00:00",""
"1545048","5.6865","0.0004","11.515","0.002","8.2545","0.0007","90","","90","","90","","540.51","0.11","","","","","","","","","","","","4","I m m a","-I 2b 2","74","hydrous wadsleyite","","hydrous wadsleyite","- H0.162 Mg1.8965 O4 Si1.001 -","- H2 Mg1.8965 O4 Si1.001 -","- H16 Mg15.172 O32 Si8.008 -","8","0.5","","Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C.","Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K","Scientific Reports","2016","6","","34988","-","","","","","","","","","","","","","","","","","","","","","","has coordinates","190551","2020-10-21","18:00:00",""
"1549039","5.73982","0.00006","11.50723","0.00013","8.39608","0.00009","90","","90","","90","","554.556","0.01","","","","","","","","","","","","3","I m m a","-I 2b 2","74","Zn2SiO4 modified spinel","","Zn2SiO4 wadsleyite phase","- O4 Si Zn2 -","- O4 Si Zn2 -","- O32 Si8 Zn16 -","8","0.5","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273021","2022-02-18","04:14:06",""
"1549739","16.501","0.004","6.6194","0.0018","13.21","0.004","90","","90","","90","","1442.9","0.7","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.19 Al I0.82 O5 -","- C8 H4.184 Al I0.816 O5 -","- C32 H16.736 Al4 I3.264 O20 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1326","0.127","","","0.3491","0.3533","","","","","","1.123","","","","has coordinates,has disorder","227965","2020-10-21","18:00:00",""
"1549740","17.107","0.011","6.622","0.004","12.229","0.008","90","","90","","90","","1385.3","1.5","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.3 Al I0.7 O5.25 -","- C8 H4.3 Al I0.7 O5.25 -","- C32 H17.2 Al4 I2.8 O21 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1215","0.1067","","","0.2786","0.2903","","","","","","1.149","","","","has coordinates","227965","2020-10-21","18:00:00",""
"1561460","5.67001","0.00006","8.01565","0.00008","5.68649","0.00006","90","","90","","90","","258.444","0.005","90","","90","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Eu Nb O3 -","- Eu Nb O3 -","- Eu4 Nb4 O12 -","4","0.25","","Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa","Structural phase transitions in EuNbO3 perovskite","Journal of Solid State Chemistry","2016","239","","192","199","10.1016/j.jssc.2016.04.032","powder diffraction","","0.79915","","","0.0184","","","","","","0.01946","0.02325","1.1491","","","","","","","has coordinates","263549","2021-04-02","09:15:32",""
"1561461","5.68182","0.00005","8.03133","0.00007","5.6921","0.00005","90","","90","","90","","259.745","0.004","300","","300","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Eu Nb O3 -","- Eu Nb O3 -","- Eu4 Nb4 O12 -","4","0.25","","Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa","Structural phase transitions in EuNbO3 perovskite","Journal of Solid State Chemistry","2016","239","","192","199","10.1016/j.jssc.2016.04.032","powder diffraction","","0.79924","","","0.02139","","","","","","0.03914","0.01731","1.0006","","","","","","","has coordinates","263549","2021-04-02","09:15:32",""
"1561491","10.3667","0.0004","13.0988","0.0007","6.48167","0.00033","90","","90","","90","","880.15","0.07","295","","295","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Cr Na2 Ni2 O12 P3 -","- Cr Na2 Ni2 O12 P3 -","- Cr4 Na8 Ni8 O48 P12 -","4","0.25","","Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.","Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3","Journal of Solid State Chemistry","2016","238","","103","108","10.1016/j.jssc.2016.03.011","powder diffraction","neutron","2.4395","","","","","","","","","0.04086","","1.8","","","","","","","has coordinates","263900","2021-04-06","09:08:11",""
"1561492","10.39875","0.00027","12.9858","0.0006","6.36341","0.00028","90","","90","","90","","859.29","0.06","295","","295","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Cr0.67 Na0.33 Ni0.33 O4 P -","- Cr0.666667 Na0.333333 Ni0.333333 O4 P -","- Cr8 Na4 Ni4 O48 P12 -","12","0.75","","Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.","Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3","Journal of Solid State Chemistry","2016","238","","103","108","10.1016/j.jssc.2016.03.011","powder diffraction","neutron","2.4395","","","","","","","","","0.02237","","1.61","","","","","","","has coordinates","263900","2021-04-06","09:08:11",""
"1561493","10.41716","0.0003","13.0366","0.0007","6.38045","0.00032","90","","90","","90","","866.49","0.07","295","","295","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Co Cr2 Na O12 P3 -","- Co Cr2 Na O12 P3 -","- Co4 Cr8 Na4 O48 P12 -","4","0.25","","Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.","Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3","Journal of Solid State Chemistry","2016","238","","103","108","10.1016/j.jssc.2016.03.011","powder diffraction","neutron","2.4395","","","","","","","","","0.03197","","2.56","","","","","","","has coordinates","263900","2021-04-06","09:08:11",""
"1571092","25.437","0.002","28.85","0.002","12.9217","0.0011","90","","90","","90","","9482.7","1.3","193","","193","","","","","","","","","5","I m m a","-I 2b 2","74","","HIAM-4040-OH-EtOH","","- C33 H20 N2 O27 Zr6 -","- C33 H20 N2 O27 Zr6 -","- C132 H80 N8 O108 Zr24 -","4","0.25","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1433","0.103","","","0.2936","0.3269","","","","","","1.04","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"2002191","9.46","","5.463","","4.66","","90","","90","","90","","240.8","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Lead dioxopalladate","","- O2 Pb Pd -","- O2 Pb Pd -","- O8 Pb4 Pd4 -","4","0.25","","Meyer, H; Mueller-Buschbaum, Hk","Neue Vernetzung planarer Polyeder um Pd2+ in Pb Pd O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","442","","26","30","10.1002/zaac.19784420104","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2007238","7.4845","0.0009","10.4936","0.001","6.2217","0.0005","90","","90","","90","","488.65","0.08","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","lithium hexafluoro arsenate monohydrate","","- As F6 H2 Li O -","- As F6 H2 Li O -","- As4 F24 H8 Li4 O4 -","4","0.25","JZ1259","Loss, Sandra; Röhr, Caroline","Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O","Acta Crystallographica Section C","1998","54","5","567","569","10.1107/S0108270197015497","","","0.7107","MoKα","","0.0381","0.021","","0.0558","0.0507","","","","1.085","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009180","4.9511","0.001","8.0427","0.0016","8.4362","0.0017","90","","90","","90","","335.93","0.12","293","2","293","2","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ba -","- Ag2 Ba -","- Ag8 Ba4 -","4","0.25","QB0118","Kang, Sung Kwon; Miller, Gordon J.","BaAg~2~","Acta Crystallographica Section C","1999","55","11","IUC9900134","","10.1107/S0108270199098595","","","0.71073","MoKα","","0.057","0.037","","","","0.074","","","","","","1.277","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2018868","15.734","","12.433","","11.646","","90","","90","","90","","2278.2","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(P Cl4) (Au Cl4)","","- Au Cl8 P -","- Au Cl8 P -","- Au8 Cl64 P8 -","8","0.5","","Schelbach, R.; Jones, P.G.; Sheldrick, G.M.; Erdbruegger, C.F.; Schwarzmann, E.","Tetrachlorophosphonium(V) tetrachloroaurate(III)","Acta Crystallographica C (39,1983-)","1987","43","","1857","1859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020537","14.1746","0.0007","7.0724","0.0004","8.894","0.0013","90","","90","","90","","891.61","0.15","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","Poly[[diaquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-copper(II)nickel(II)] monohydrate]","","- C4 H6 Cu N4 Ni O3 -","- C4 H6 Cu N4 Ni O3 -","- C16 H24 Cu4 N16 Ni4 O12 -","4","0.25","OV3074","Qin, Ying Lian; Yang, Bin Wu; Wang, Gao Feng; Sun, Hong","A cyanide-bridged heterometallic coordination polymer constructed from square-planar [Ni(CN)4](2-): synthesis, crystal structure, thermal decomposition, electron paramagnetic resonance (EPR) spectrum and magnetic properties.","Acta Crystallographica, Section C: Structural Chemistry","2016","72","7","555","560","10.1107/S2053229616009372","","","0.71073","MoKα","","0.0413","0.034","","","0.0962","0.1021","","","","","","1.022","","","","has coordinates,has Fobs","201402","2020-10-21","18:00:00",""
"2022856","6.6935","0.0001","7.2024","0.0001","12.7978","0.0002","90","","90","","90","","616.973","0.016","100","2","100","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C16 H16 Cl8 Co4 N8 -","4","0.25","HB8073","Näther, Christian; Jess, Inke","Synthesis and crystal structure of catena-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ2 N 1:N 2]","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007065","","x-ray","1.54184","CuKα","","0.0206","0.0203","","","0.0575","0.0577","","","","","","1.068","","","","has coordinates,has Fobs","286285","2023-09-09","01:37:06",""
"2102113","5.19096","0.00008","5.21235","0.00009","7.41751","0.0001","90","","90","","90","","200.696","0.005","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","?","- Hf4 V8 -","- Hf4 V8 -","","","OS0043","Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing","Structural phase transitions of HfV~2~ at low temperatures","Acta Crystallographica Section B","2000","56","4","601","606","10.1107/S0108768100003633","","","0.7508","","","","","","","","","","","4.24","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102114","5.17349","0.0001","5.22109","0.00012","7.43197","0.00015","90","","90","","90","","200.747","0.007","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","?","- Hf4 V8 -","- Hf4 V8 -","","","OS0043","Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing","Structural phase transitions of HfV~2~ at low temperatures","Acta Crystallographica Section B","2000","56","4","601","606","10.1107/S0108768100003633","","","0.7508","","","","","","","","","","","4.06","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106707","5.6603","","17.298","","8.11","","90","","90","","90","","794.065","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ni17 Al13.9 Si5.1 O48","","- Al13.9 Ni17 O48 Si5.1 -","- Al13.9 Ni17 O48 Si5.1 -","- Al13.9 Ni17 O48 Si5.1 -","1","0.0625","","Ma, C.; Tillmanns, E.","Nickel alumosilicate, phase II","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2139","2141","","","","","","","","","","","","","","","","","","","","","","has coordinates","155405","2020-10-21","18:00:00",""
"2106708","5.6646","","11.455","","8.1007","","90","","90","","90","","525.638","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ni12.48 (Al7 Si4.5 O32)","","- Al7 Ni12.48 O32 Si4.5 -","- Al7 Ni12.48 O32 Si4.5 -","- Al7 Ni12.48 O32 Si4.5 -","1","0.0625","","Ma, C.; Sahl, K.","Nickel alumosilicate, phase III","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2142","2143","","","","","","","","","","","","","","","","","","","","","","has coordinates","155406","2020-10-21","18:00:00",""
"2106984","5.665","","28.646","","8.091","","90","","90","","90","","1313","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ni3 Al2 Si O8","","- Al2 Ni3 O8 Si -","- Al2.004 Ni2.996 O8 Si -","- Al20.04 Ni29.96 O80 Si10 -","10","0.625","","Horioka, K.; Horiuchi, H.; Morimoto, N.; Takahashi, K.I.; Akimoto, S.I.; Akaogi, M.","Structure of Nickel Aluminosilicate (Phase IV): A High Pressure Phase Related to Spinel","Acta Crystallographica B (24,1968-38,1982)","1981","37","","635","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108393","14.9725","0.0014","5.2733","0.0006","17.0318","0.0017","90","","90","","90","","1344.7","0.2","100","0.1","100","0.1","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C7 H11 F Ge3.84 N2 O24 Si8.16 -","- C7 H11 F Ge3.8408 N2 O24 Si8.1592 -","- C14 H22 F2 Ge7.6816 N4 O48 Si16.3184 -","2","0.125","","Wang, Xiaoge; Shen, Yihan; Liu, Rongli; Liu, Xiaolong; Lin, Cong; Shi, Dier; Chen, Yanping; Liao, Fuhui; Lin, Jianhua; Sun, Junliang","Elucidation of correlated disorder in zeolite IM-18","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003172","","","0.71073","MoKα","","0.0366","0.0288","","","0.0685","0.0717","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","215127","2020-10-21","18:00:00",""
"2109072","5.8522","0.0008","8.236","0.003","5.867","0.005","90","","90","","90","","282.8","0.3","443","","443","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Hf O3 Pb -","- Hf O3 Pb -","- Hf4 O12 Pb4 -","4","0.25","","Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry","Incommensurate crystal structure of PbHfO~3~","Acta Crystallographica Section B","2020","76","1","7","12","10.1107/S205252061901494X","","x-ray","0.77865","synchrotron","","0.0456","0.0432","","","0.1305","0.1326","","","","4.4","4.4","3.69","","","","has coordinates,has Fobs","278858","2022-10-28","14:35:32",""
"2202542","19.522","0.004","10.738","0.002","13.628","0.003","90","","90","","90","","2856.8","1","153","2","153","2","","","","","","","","6","I m m a","-I 2b 2","74","","(η^6^-benzene)bis(η^6^-p-cymene)tri-μ-hydrido-μ~3~-oxo-triruthenium hexafluorophosphate","","- C26 H37 F6 O P Ru3 -","- C26 H37 F6 O P Ru3 -","- C104 H148 F24 O4 P4 Ru12 -","4","0.25","CM6054","Vieille-Petit, Ludovic; Therrien, Bruno; Süss-Fink, Georg","(η^6^-Benzene)bis(η^6^-<i>p</i>-cymene)tri-μ-hydrido-μ~3~-oxo-triruthenium hexafluorophosphate","Acta Crystallographica Section E","2003","59","8","m669","m670","10.1107/S1600536803016222","","","0.71073","MoKα","","0.0469","0.0329","","","0.0745","0.0775","","","","","","0.917","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203717","7.458","0.002","7.1667","0.0016","13.136","0.004","90","","90","","90","","702.1","0.3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","catena-Poly[mercury(II)-di-μ-chloro-μ-pyridazine-κ^2^N:N']","","- C4 H4 Cl2 Hg N2 -","- C4 H4 Cl2 Hg N2 -","- C16 H16 Cl8 Hg4 N8 -","4","0.25","CF6342","Nockemann, Peter; Meyer, Gerd","<i>catena</i>-Poly[mercury(II)-di-μ-chloro-μ-pyridazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","6","m751","m752","10.1107/S1600536804010414","","","0.71073","MoKα","","0.0479","0.0217","","","0.0268","0.03","","","","","","0.967","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204275","19.258","0.001","7.2459","0.0004","8.8593","0.0005","90","","90","","90","","1236.24","0.12","295","2","295","2","","","","","","","","5","I m m a","-I 2b 2","74","","poly[cobalt(II)-μ~2~-N,N-dimethylformamide-κ^2^O:O-μ~4~-terephthalato- κ^4^O:O':O'':O''']","","- C11 H11 Co N O5 -","- C11 H11 Co N O5 -","- C44 H44 Co4 N4 O20 -","4","0.25","BT6522","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","The 1:1 adduct of cobalt(II) terephthalate with <i>N,N</i>-dimethylformamide","Acta Crystallographica Section E","2004","60","10","m1507","m1509","10.1107/S1600536804023384","","","0.71073","MoKα","","0.0322","0.0318","","","0.0927","0.0933","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2215379","19.3652","0.0015","7.2856","0.0006","8.8571","0.0007","90","","90","","90","","1249.62","0.17","295","2","295","2","","","","","","","","5","I m m a","-I 2b 2","74","","Poly[(μ~2~-<i>N</i>,<i>N</i>-dimethylformamide-κ^2^<i>O</i>:<i>O</i>)( μ~4~-terephthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')iron(II)]","","- C11 H11 Fe N O5 -","- C11 H11 Fe N O5 -","- C44 H44 Fe4 N4 O20 -","4","0.25","BT2503","Lu, Hui; Fu, Yun-Long; Zhang, Yu; Ng, Seik Weng","Poly[(μ~2~-<i>N</i>,<i>N</i>-dimethylformamide-κ^2^<i>O</i>:<i>O</i>)(μ~4~-terephthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')iron(II)]","Acta Crystallographica Section E","2007","63","10","m2534","m2534","10.1107/S1600536807044091","","","0.71073","MoKα","","0.0429","0.0404","","","0.1104","0.1128","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2228402","16.815","0.003","6.5938","0.0013","8.8587","0.0018","90","","90","","90","","982.2","0.3","290","2","290","2","","","","","","","","7","I m m a","-I 2b 2","74","","Poly[di-μ~2~-aqua-μ~4~-chlorido-μ~4~-(2-mercaptopyrimidine-4,6-diolato- κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')-disodium(I)]","","- C4 H7 Cl N2 Na2 O4 S -","- C4 H7 Cl N2 Na2 O4 S -","- C16 H28 Cl4 N8 Na8 O16 S4 -","4","0.25","HY2376","Li, Bao; Li, Wen; Ye, Ling; Hou, Guang-Feng; Wu, Li-Xin","Poly[di-μ~2~-aqua-μ~4~-chlorido-μ~4~-(2-mercaptopyrimidine-4,6-diolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')-disodium(I)]","Acta Crystallographica Section E","2010","66","12","m1546","","10.1107/S1600536810045836","","","0.71073","MoKα","","0.0255","0.0238","","","0.061","0.0619","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2238130","10.2327","0.0008","13.9389","0.0009","6.6567","0.0004","90","","90","","90","","949.46","0.11","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","Lead(II) manganese(II/III) phosphate(V)","","- Mn3 O12 P3 Pb -","- Mn3 O12 P3 Pb -","- Mn12 O48 P12 Pb4 -","4","0.25","BR2227","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","A new mixed-valence lead(II) manganese(II/III) phosphate(V): PbMn^II^~2~Mn^III^(PO~4~)~3~","Acta Crystallographica Section E","2013","69","7","i40","","10.1107/S1600536813016504","","","0.71073","MoKα","","0.0168","0.0162","","","0.0393","0.0395","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238573","10.2373","0.001","13.8981","0.0015","6.623","0.0006","90","","90","","90","","942.31","0.16","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","Strontium trimanganese tris(orthophosphate)","","- Mn3 O12 P3 Sr -","- Mn3 O12 P3 Sr -","- Mn12 O48 P12 Sr4 -","4","0.25","WM2761","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; Follet, Claudine; El Ammari, Lahcen","SrMn^II^~2~Mn^III^(PO~4~)~3~","Acta Crystallographica Section E","2013","69","9","i56","","10.1107/S1600536813020977","","","0.71073","MoKα","","0.0326","0.0249","","","0.0628","0.0657","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238576","10.3038","0.0007","14.0163","0.0011","6.7126","0.0004","90","","90","","90","","969.44","0.12","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","Barium trimanganese tris(orthophosphate)","","- Ba Mn3 O12 P3 -","- Ba Mn3 O12 P3 -","- Ba4 Mn12 O48 P12 -","4","0.25","WM2767","Assani, Abderrazzak; Saadi, Mohamed; Alhakmi, Ghaleb; Houmadi, Elham; El Ammari, Lahcen","BaMn^II^~2~Mn^III^(PO~4~)~3~","Acta Crystallographica Section E","2013","69","9","i60","","10.1107/S1600536813023106","","","0.71073","MoKα","","0.0244","0.0201","","","0.0527","0.0551","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2241159","10.3881","0.0011","13.1593","0.0013","6.5117","0.0007","90","","90","","90","","890.15","0.16","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Strontium dinickel iron orthophosphate","","- Fe Ni2 O12 P3 Sr -","- Fe Ni2 O12 P3 Sr -","- Fe4 Ni8 O48 P12 Sr4 -","4","0.25","PJ2022","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of strontium dinickel iron orthophosphate","Acta Crystallographica Section E","2015","71","10","1255","1258","10.1107/S205698901501779X","","","0.71073","MoKα","","0.0155","0.0152","","","0.0409","0.0411","","","","","","1.204","","","","has coordinates,has Fobs","158427","2020-10-21","18:00:00",""
"2241550","9.7258","0.0009","19.3588","0.0009","9.6125","0.0002","90","","90","","90","","1809.84","0.19","150","2","150","2","","","","","","","","5","I m m a","-I 2b 2","74","mercury chalcohalide","Mercury antimony sulfide selenide iodide","","- Hg2.899 I1.908 S0.054 Sb0.101 Se2.038 -","- Hg2.899 I1.908 S0.057 Sb0.101 Se2.035 -","- Hg23.192 I15.264 S0.456 Sb0.808 Se16.28 -","8","0.5","VN2108","Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Structure cristalline du composé Hg~3-<i>x~</i>Sb~<i>x~</i>(S+Se)~2+<i>x~</i>I~2-<i>x~</i> (<i>x</i> ≃0.1)","Acta Crystallographica Section E","2016","72","3","304","306","10.1107/S2056989016002127","","","0.71073","MoKα","","0.082","0.0478","","","0.0581","0.0637","","","","","","1.44","","","","has coordinates,has Fobs","176364","2020-10-21","18:00:00",""
"2241773","10.4097","0.0002","13.2714","0.0003","6.5481","0.0002","90","","90","","90","","904.63","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Strontium dicobalt iron(III) tris(orthophosphate)","","- Co2 Fe O12 P3 Sr -","- Co2 Fe O12 P3 Sr -","- Co8 Fe4 O48 P12 Sr4 -","4","0.25","PK2584","Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of strontium dicobalt iron(III) tris(orthophosphate): SrCo~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","8","1143","1146","10.1107/S2056989016011373","","","0.71073","MoKα","","0.0184","0.0171","","","0.0452","0.0457","","","","","","1.155","","","","has coordinates,has Fobs","184530","2020-10-21","18:00:00",""
"2242153","10.3126","0.0003","13.1138","0.0003","6.4405","0.0002","90","","90","","90","","871","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Calcium dinickel(II) iron(III) tris(orthophosphate)","","- Ca Fe Ni2 O12 P3 -","- Ca Fe Ni2 O12 P3 -","- Ca4 Fe4 Ni8 O48 P12 -","4","0.25","WM5390","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of calcium dinickel(II) iron(III) tris(orthophosphate): CaNi~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","893","895","10.1107/S2056989017007411","","","0.71073","MoKα","","0.0169","0.0166","","","0.0442","0.0443","","","","","","1.167","","","","has coordinates,has Fobs","199128","2020-10-21","18:00:00",""
"2242323","7.0593","0.0004","10.5346","0.0005","13.0658","0.0006","90","","90","","90","","971.66","0.08","100","2","100","2","","","","","","","","4","I m m a","-I 2b 2","74","I3CN","2,4,6-Triiodobenzonitrile","","- C7 H2 I3 N -","- C7 H2 I3 N -","- C28 H8 I12 N4 -","4","0.25","LH5864","Noland, Wayland E.; Britton, Doyle; Sutton, Gregory K.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structures of 2,4,6-triiodobenzonitrile and 2,4,6-triiodophenyl isocyanide","Acta Crystallographica Section E","2018","74","2","98","102","10.1107/S2056989017018217","","","0.71073","MoKα","","0.0142","0.0134","","","0.0298","0.0302","","","","","","1.183","","","","has coordinates,has Fobs","205172","2020-10-21","18:00:00",""
"2242324","7.0552","0.0003","10.4947","0.0005","13.1557","0.0005","90","","90","","90","","974.08","0.07","100","2","100","2","","","","","","","","4","I m m a","-I 2b 2","74","I3NC","2,4,6-Triiodophenyl isocyanide","","- C7 H2 I3 N -","- C7 H2 I3 N -","- C28 H8 I12 N4 -","4","0.25","","Noland, Wayland E.; Britton, Doyle; Sutton, Gregory K.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structures of 2,4,6-triiodobenzonitrile and 2,4,6-triiodophenyl isocyanide","Acta Crystallographica Section E","2018","74","2","98","102","10.1107/S2056989017018217","","","0.71073","MoKα","","0.0119","0.011","","","0.0239","0.0243","","","","","","1.143","","","","has coordinates,has Fobs","205172","2020-10-21","18:00:00",""
"2243077","7.7077","0.0002","8.0226","0.0002","8.4526","0.0003","90","","90","","90","","522.67","0.03","100","2","100.15","","","","","","","","","4","I m m a","-I 2b 2","74","","Diamminedichloridozinc","","- Cl2 H6 N2 Zn -","- Cl2 H6 N2 Zn -","- Cl8 H24 N8 Zn4 -","4","0.25","WM5517","Ivšić, Trpimir; Bi, David Wenhua; Magrez, Arnaud","New refinement of the crystal structure of Zn(NH~3~)~2~Cl~2~ at 100K","Acta Crystallographica Section E","2019","75","9","1386","1388","10.1107/S2056989019011757","","","0.71073","MoKα","","0.0163","0.0151","","","0.035","0.0356","","","","","","1.041","","","","has coordinates,has Fobs","217899","2020-10-21","18:00:00",""
"2310070","7.26","","4.68","","8.14","","90","","90","","90","","276.571","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ca -","- Ag2 Ca -","- Ag8 Ca4 -","4","0.25","","Dunsmore, R.S.; Kuhi, L.V.; Calvert, L.D.; Tse, R.S.","The crystal structure of Ag Ca and Ag2 Ca","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310180","8.1","","5.16","","8.77","","90","","90","","90","","366.551","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Hg2 K -","- Hg2 K -","- Hg8 K4 -","4","0.25","","Duwell, E.J.; Baenziger, N.C.","The crystal structures of K Hg and K Hg2","Acta Crystallographica (1,1948-23,1967)","1955","8","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310188","4.38","","6.29","","13.673","","90","","90","","90","","376.694","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ga4 Pu -","- Ga4 Pu -","- Ga16 Pu4 -","4","0.25","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of Pu Ga4 and Pu Ga6","Acta Crystallographica (1,1948-23,1967)","1965","19","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310226","4.456","","7.039","","7.641","","90","","90","","90","","239.666","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ho Zn2 -","- Ho Zn2 -","- Ho4 Zn8 -","4","0.25","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn2","Acta Crystallographica (1,1948-23,1967)","1966","21","","818","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310298","4.308","","6.891","","7.303","","90","","90","","90","","216.8","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Y -","- Cu2 Y -","- Cu8 Y4 -","4","0.25","","Kejriwal, P.K.; Ryba, E.","Crystal structure of Y Cu2","Acta Crystallographica (1,1948-23,1967)","1963","16","","853","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310301","4.43","","7.05","","7.54","","90","","90","","90","","235.486","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ce Cu2 -","- Ce Cu2 -","- Ce4 Cu8 -","4","0.25","","Larson, A.C.; Cromer, D.T.","The crystal structure of Ce Cu2","Acta Crystallographica (1,1948-23,1967)","1961","14","","73","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310343","4.779","","7.795","","7.82","","90","","90","","90","","291.313","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Sr Zn2 -","- Sr Zn2 -","- Sr4 Zn8 -","4","0.25","","Bergman, B.G.; Shlichta, P.J.","The structure of Sr Zn2","Acta Crystallographica (1,1948-23,1967)","1964","17","","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310443","4.573","","7.325","","7.569","","90","","90","","90","","253.54","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Yb Zn2 -","- Yb Zn2 -","- Yb4 Zn8 -","4","0.25","","Michel, D.J.; Ryba, E.","The crystal structure of Yb Zn2","Acta Crystallographica (1,1948-23,1967)","1965","19","","687","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310686","7.962","","10.594","","6.116","","90","","90","","90","","515.881","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Na (P F6) (H2 O)","","- F6 H2 Na O P -","- F6 H2 Na O P -","- F24 H8 Na4 O4 P4 -","4","0.25","","Teufer, G.; Bode, H.","Bie Kristallstruktur des wasserhaltigen Natriumhexafluorophosphats, Na P F6 H2 O","Acta Crystallographica (1,1948-23,1967)","1956","9","","825","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2311931","10.419","0.002","13.496","0.002","6.669","0.002","90","","90","","90","","937.8","0.4","298","2","298","2","","","","","","","","6","I m m a","-I 2b 2","74","","Sodium calcium trinickel aluminium triarsenate","","- Al0.46 As3 Ca0.77 Na Ni2.54 O12 -","- Al0.457 As3 Ca0.774 Na Ni2.543 O12 -","- Al1.828 As12 Ca3.096 Na4 Ni10.172 O48 -","4","0.25","SK3667","Ben Smail, Ridha; Zid, Mohamed Faouzi","An arsenate with the α-CrPO<sub>4</sub> structure type, NaCa<sub>1-x</sub>Ni<sub>3-2x</sub>Al<sub>2x</sub>(AsO<sub>4</sub>)<sub>3</sub> (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","896","904","10.1107/S2053229617013213","","","0.71073","MoKα","","0.0227","0.0196","","","0.0565","0.0579","","","","","","1.13","","","","has coordinates","246172","2020-10-21","18:00:00",""
"2312101","7.254","0.0002","7.7223","0.0002","13.291","0.0004","90","","90","","90","","744.53","0.04","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-Poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Br2 Cd N2 -","- C4 H4 Br2 Cd N2 -","- C16 H16 Br8 Cd4 N8 -","4","0.25","HB8056","Näther, Christian; Jess, Inke","Syntheses, crystal structures and thermal properties of <i>catena</i>-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>] and <i>catena</i>-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","302","307","10.1107/S2056989023002001","","x-ray","0.71073","MoKα","","0.0225","0.0195","","","0.0563","0.0569","","","","","","1.16","","","","has coordinates,has Fobs","283565","2023-05-06","10:20:26",""
"2312102","7.574","0.0002","8.2979","0.0002","13.5363","0.0004","90","","90","","90","","850.73","0.04","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-Poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Cd I2 N2 -","- C4 H4 Cd I2 N2 -","- C16 H16 Cd4 I8 N8 -","4","0.25","","Näther, Christian; Jess, Inke","Syntheses, crystal structures and thermal properties of <i>catena</i>-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>] and <i>catena</i>-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","302","307","10.1107/S2056989023002001","","x-ray","0.71073","MoKα","","0.0169","0.0164","","","0.0454","0.0458","","","","","","1.176","","","","has coordinates,has Fobs","283565","2023-05-06","10:20:26",""
"3000237","5.7358","","11.4936","","8.3783","","90","","90","","90","","552.339","","","","","","","","","","","","","3","I m m a","-I 2b 2","","Zn2SiO4","","Zn2SiO4 phase V","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 V structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215372","2020-10-21","18:00:00","2020-04-22"
"4000940","6.76552","0.00046","22.7353","0.0032","13.4648","0.0014","90","","90","","90","","2071.1","0.4","298","","298","","","","","","","","synthesis","4","I m m a","-I 2b 2","74","","1,4-bis(4-pyrazolato)-benzene nickel(ii)","","- C12 H8 N4 Ni -","- C12 H8 N4 Ni -","- C48 H32 N16 Ni4 -","4","0.25","","Galli, S.; Masciocchi, N.; Colombo, V.; Maspero, A.; Palmisano, G.; López-Garzón, F. J.; Domingo-García, M.; Fernández-Morales, I.; Barea, E.; Navarro, J. A. R.","Adsorption of Harmful Organic Vapors by Flexible Hydrophobic Bis-pyrazolate Based MOFs","Chemistry of Materials","2010","22","5","1664","","10.1021/cm902899t","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002089","6.5675","0.00017","16.4026","0.0005","13.1643","0.0007","90","","90","","90","","1418.11","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18476","","1.74","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002090","6.56849","0.00015","16.3904","0.0005","13.2097","0.0006","90","","90","","90","","1422.16","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.26383","","1.77","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002092","6.56879","0.00017","16.3828","0.0005","13.1723","0.0007","90","","90","","90","","1417.54","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18163","","1.64","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002093","6.56802","0.00017","16.3948","0.0005","13.1677","0.0007","90","","90","","90","","1417.92","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23045","","1.66","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002094","6.56804","0.00017","16.3885","0.0005","13.1682","0.0007","90","","90","","90","","1417.43","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.17949","","1.62","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002095","6.568","0.00016","16.4018","0.0005","13.183","0.0006","90","","90","","90","","1420.17","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2547","","1.8","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002096","6.56782","0.00015","16.4055","0.0005","13.1687","0.0006","90","","90","","90","","1418.91","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.19119","","1.73","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002098","6.56766","0.00016","16.4042","0.0005","13.1657","0.0007","90","","90","","90","","1418.44","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18535","","1.64","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002099","6.56772","0.00016","16.4037","0.0005","13.174","0.0006","90","","90","","90","","1419.3","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.20163","","1.68","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002100","6.56768","0.00017","16.3984","0.0005","13.164","0.0007","90","","90","","90","","1417.76","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18711","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002101","6.56812","0.00016","16.3928","0.0005","13.1995","0.0006","90","","90","","90","","1421.19","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.26175","","1.75","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002103","6.56806","0.00017","16.3927","0.0005","13.1667","0.0007","90","","90","","90","","1417.64","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.25896","","1.66","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002104","6.56852","0.00015","16.4032","0.0005","13.1796","0.0006","90","","90","","90","","1420.03","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2115","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002105","6.62982","0.00006","16.76377","0.00017","12.78585","0.00023","90","","90","","90","","1421.03","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.15748","","2.03","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002106","6.62905","0.00006","16.73997","0.00017","12.81723","0.00022","90","","90","","90","","1422.33","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.21085","","2.06","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002107","6.62869","0.00006","16.72237","0.00018","12.84063","0.00023","90","","90","","90","","1423.35","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.22703","","2.16","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002108","6.63046","0.00006","16.7759","0.00017","12.77032","0.00023","90","","90","","90","","1420.47","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.20307","","2.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002109","6.63028","0.00006","16.79731","0.00017","12.74687","0.00024","90","","90","","90","","1419.63","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23236","","2.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002110","6.62857","0.00006","16.71675","0.00018","12.84727","0.00023","90","","90","","90","","1423.58","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23182","","2.14","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002111","6.6289","0.00006","16.73384","0.00017","12.82536","0.00022","90","","90","","90","","1422.68","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.19799","","2.07","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002112","6.62854","0.00006","16.71205","0.00018","12.85296","0.00023","90","","90","","90","","1423.81","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23802","","2.18","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002113","6.62913","0.00006","16.74572","0.00017","12.80987","0.00023","90","","90","","90","","1422.02","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.21891","","2.06","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002114","6.62927","0.00006","16.75151","0.00018","12.80193","0.00023","90","","90","","90","","1421.66","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23894","","2.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002115","6.63021","0.00006","16.77003","0.00017","12.77785","0.00023","90","","90","","90","","1420.75","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.1866","","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002116","6.62947","0.00006","16.75793","0.00017","12.79359","0.00023","90","","90","","90","","1421.32","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23905","","2.03","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002117","6.6288","0.00006","16.72761","0.00018","12.83361","0.00022","90","","90","","90","","1423.04","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23692","","2.12","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002118","6.63046","0.00006","16.78318","0.00017","12.76181","0.00024","90","","90","","90","","1420.14","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2366","","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002119","6.63033","0.00006","16.79018","0.00017","12.75375","0.00024","90","","90","","90","","1419.8","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.22006","","2.01","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002120","6.56474","0.00013","16.403","0.0004","13.1762","0.0005","90","","90","","90","","1418.83","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.29471","","2.16","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002123","6.56509","0.00013","16.3991","0.0004","13.1951","0.0005","90","","90","","90","","1420.61","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.29718","","2.33","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002127","6.56394","0.00013","16.4021","0.0004","13.183","0.0005","90","","90","","90","","1419.31","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.30578","","2.23","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002419","5.286","","29.5334","","5.4027","","90","","90","","90","","843.435","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ca2 Mn Al O5.5","","- Al Ca2 Mn O5.5 -","- Al Ca2 Mn O5.5 -","- Al8 Ca16 Mn8 O44 -","8","0.5","","Palmer, H.M.; Snedden, A.; Wright, A.J.; Greaves, C.","Crystal structure and magnetic properties of Ca2 Mn Al O5.5 an n=3 brownmillerite phase","Chemistry of Materials (1,1989-)","2006","18","","1130","1133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002984","6.0112","0.001","11.5363","0.0018","17.342","0.003","90","","90","","90","","1202.6","0.3","250","","250","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C H6 Br4 Cs N3 Sn -","- C H6 Br4 Cs N3 Sn -","- C4 H24 Br16 Cs4 N12 Sn4 -","4","0.25","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.","Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.","Chemistry of materials : a publication of the American Chemical Society","2019","31","6","2121","2129","10.1021/acs.chemmater.9b00038","","","0.71073","MoKα","","0.0279","0.0227","","","0.0512","0.053","","","","","","1.032","","","","has coordinates","220408","2020-10-21","18:00:00",""
"4030424","6.0406","0.0025","8.5449","0.0042","6.0558","0.0019","90","","90","","90","","312.6","0.2","","","293","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Ba O2.9 Pb0.8 Tl0.2 -","- Ba O2.805 Pb0.8 Tl0.2 -","- Ba4 O11.22 Pb3.2 Tl0.8 -","4","0.25","","Greedan, J.E.; Willmer, K.L.; Gibbs, H.F.","Structural aspects of the metal-insulator transition in BaPb(1-x)TlxO(3-x/2) by neutron diffraction","European Journal of Solid State and Inorganic Chemistry","1992","29","","505","518","","powder diffraction","neutron","1.3915","neutron","","","","","","","","","0.0804","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4031163","23.642","","19.577","","6.958","","90","","90","","90","","3220.44","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","K3 Cu11 ((Te2)5 (Te3)2)","","- Cu11 K3 Te16 -","- Cu11 K3 Te16 -","- Cu44 K12 Te64 -","4","0.25","","Emirdag, M.; Schimek, G.L.; Kolis, J.W.","Synthesis and characterisation of K3 Cu11 Te16 from supercritical ethylenediamine","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1999","1999","","1531","1532","","","","","","","","","","","","","","","","","","","","","","has coordinates","140587","2020-10-21","18:00:00",""
"4031439","14.9","","11.79","","10.57","","90","","90","","90","","1856.84","","","","","","","","","","","","","6","I m m a","-I 2b 2","74","","K (Cu (N H3)5) (P F6)3","","- Cu F18 H15 K N5 P3 -","- Cu F18 K N5 P3 -","- Cu4 F72 K4 N20 P12 -","4","0.25","","Duggan, M.; Ray, N.; Brint, P.; Tomlinson, G.; Hathaway, B.J.; Pelin, K.","Crystal structure and electronic properties of Ammine(tris(2-amino-ethyl)amine)copper(II) Diperchlorate and Potassium penta-ammine-copper(II) tris(hexafluorophosphate)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","1342","1348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4089494","15.2927","0.0008","17.3479","0.0009","9.7829","0.0005","90","","90","","90","","2595.4","0.2","100","2","100","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C76 H104 F48 N8 O4 P8 Pd4 S8 -","- C74 H104 F48 N8 O4 P8 Pd4 S8 -","- C74 H104 F48 N8 O4 P8 Pd4 S8 -","1","0.0625","","Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.","Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates","Organometallics","2013","32","11","3343","","10.1021/om400286j","","","0.71073","MoKα","","0.072","0.0702","","","0.2141","0.2152","","","","","","1.067","","","","has coordinates,has disorder","243657","2020-10-21","18:00:00",""
"4101542","22.34","0.004","7.079","0.001","13.644","0.003","90","","90","","90","","2157.6","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0662","0.0613","","","0.1885","0.1937","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101821","18.4","0.02","6.935","0.007","11.075","0.011","90","","90","","90","","1413","3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4 Cl Fe O5 -","- C8 Cl Fe O5 -","- C32 Cl4 Fe4 O20 -","4","0.25","","Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey","Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions","Journal of the American Chemical Society","2010","132","","1127","1136","10.1021/ja9092715","","","0.71073","MoKα","","0.1781","0.1077","","","0.254","0.2881","","","","","","1.019","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101822","17.841","0.004","6.8729","0.0015","11.839","0.003","90","","90","","90","","1451.7","0.6","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H5 Fe O7 -","- C8 Fe O7 -","- C32 Fe4 O28 -","4","0.25","","Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey","Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions","Journal of the American Chemical Society","2010","132","","1127","1136","10.1021/ja9092715","","","0.71073","MoKα","","0.1149","0.0734","","","0.227","0.2455","","","","","","1.199","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4102136","19.509","0.005","7.3756","0.0019","9.32","0.003","90","","90","","90","","1341.1","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C3.25 H2.25 Mn0.25 N0.25 O1.25 -","- C3.25 H2.25 Mn0.25 N0.25 O1.25 -","- C52 H36 Mn4 N4 O20 -","16","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0524","0.0455","","","0.1133","0.118","","","","","","1.094","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4103388","6.6387","0.0006","15.761","0.0014","14.1961","0.0014","90","","90","","90","","1485.4","0.2","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C16.09 Al O5 -","- C15.4496 Al O5 -","- C61.7984 Al4 O20 -","4","0.25","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","6.83","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103390","6.6424","0.0004","16.0436","0.0011","13.8471","0.001","90","","90","","90","","1475.66","0.17","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C15.45 Al O5 -","- C15.4528 Al O5 -","- C61.8112 Al4 O20 -","4","0.25","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","4.26","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107895","5.58392","0.00017","38.9909","0.0011","5.61065","0.00018","90","","90","","90","","1221.56","0.06","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Ba0.81 Ca0.78 Fe2.5 Nd0.91 O6.43 -","- Ba0.8116 Ca0.77905 Fe2.5 Nd0.90915 O6.43 -","- Ba6.4928 Ca6.2324 Fe20 Nd7.2732 O51.44 -","8","0.5","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","neutron","1.59432","","","","","","","","","0.09473","","3.23","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4107910","5.56053","0.00006","38.7107","0.0004","5.58133","0.00006","90","","90","","90","","1201.39","0.02","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Ba0.41 Ca0.39 Fe1.25 Nd0.45 O3.25 -","- Ba0.4058 Ca0.389525 Fe1.25 Nd0.454575 O3.25 -","- Ba6.4928 Ca6.2324 Fe20 Nd7.2732 O52 -","16","1","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","x-ray","0.6","","","","","","","","","0.05181","","2.63","","","","","","","has coordinates,has Fobs","178825","2020-10-21","18:00:00",""
"4108533","6.63098","0.00022","15.9473","0.0007","13.9205","0.0006","90","","90","","90","","1472.04","0.1","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53 ortho-xylene","","","- C8 H5 Al O5 -","- C18.88 Al O -","- C75.52 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","4.55","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108534","6.63456","0.00028","16.0005","0.0008","13.8726","0.0007","90","","90","","90","","1472.66","0.12","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53 meta-xylene","","","- C8 H5 Al O5 -","- C19.36 Al O -","- C77.44 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","5.65","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108536","6.6218","0.0017","16.2148","0.0022","13.5886","0.0023","90","","90","","90","","1459","0.5","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53","","","- C8 H5 Al O5 -","- C27.2 Al O -","- C108.8 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","8.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108537","6.63378","0.00022","16.2884","0.0006","13.4909","0.0005","90","","90","","90","","1457.74","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","MIL-53 ortho-cymene","","","- C8 H5 Al O5 -","- C20.516 Al O -","- C82.064 Al4 O4 -","4","0.25","","Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos","Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53","Journal of the American Chemical Society","2008","130","","14170","14178","10.1021/ja802761z","powder diffraction","","","","","","","","","","","","","4.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109876","6.894","0.0009","6.886","0.0009","17.7229","0.0016","90","","90","","90","","841.34","0.17","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Ce N2 O8 P2 -","- Ce N2 O8 P2 -","- Ce4 N8 O32 P8 -","4","0.25","","Miguel A. Salvadó; Pilar Pertierra; Camino Trobajo; José R. García","Crystal Structure of a Cerium(IV) Bis(phosphate) Derivative","Journal of the American Chemical Society","2007","129","","10970","10971","10.1021/ja0710297","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.15538","","2.26","","","","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4111324","22.249","0.002","7.0528","0.0008","13.5747","0.0015","90","","90","","90","","2130.1","0.4","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Mircea Dincǎ; Anta F. Yu; Jeffrey R. Long","Microporous Metal-Organic Frameworks Incorporating 1,4-Benzeneditetrazolate: Syntheses, Structures, and Hydrogen Storage Properties [J. Am. Chem. Soc.2006,128, 8904-8913].","Journal of the American Chemical Society","2006","128","","17153","17153","10.1021/ja068019a","","","0.775","Synchrotron","","0.0745","0.0686","","","0.1966","0.2015","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111415","19.2301","0.0016","7.2386","0.0006","8.8481","0.0007","90","","90","","90","","1231.65","0.17","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2.75 H Co0.25 N0.25 O1.25 -","- C2.75 H Co0.25 N0.25 O1.25 -","- C44 H16 Co4 N4 O20 -","16","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0364","0.0329","","","0.0877","0.0896","","","","","","1.105","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4114920","14.408","0.009","9.129","0.006","10.452","0.007","90","","90","","90","","1374.8","1.5","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- H6.3 Na2 O14.15 Si4 V -","- Na2 O14.16 Si4 V -","- Na8 O56.64 Si16 V4 -","4","0.25","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1325","0.0594","","","0.1036","0.1256","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121063","23.9532","0.0019","25.725","0.002","14.8141","0.0012","90","","90","","90","","9128.4","1.3","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C34 H24 Cl2 O10 P2 Pd Zn2 -","- C34 H24 Cl2 O10 P2 Pd Zn2 -","- C136 H96 Cl8 O40 P8 Pd4 Zn8 -","4","0.25","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.71075","MoKα","","0.1738","0.1082","","","0.2722","0.318","","","","","","1.079","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121064","24.574","0.005","26.507","0.005","15.152","0.003","90","","90","","90","","9870","3","120","2","120","2","","","","","","","","7","I m m a","-I 2b 2","74","PCM-18","","","- C34 H24 Cl2 O10 P2 Pt Zn2 -","- C34 H24 Cl2 O10 P2 Pt Zn2 -","- C136 H96 Cl8 O40 P8 Pt4 Zn8 -","4","0.25","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.710747","MoKα","","0.0729","0.0588","","","0.1523","0.1608","","","","","","1.077","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4122126","22.249","0.002","7.0528","0.0008","13.5747","0.0015","90","","90","","90","","2130.1","0.4","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F.; Long, Jeffrey R.","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0745","0.0686","","","0.1966","0.2015","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122309","20.611","0.007","7.029","0.002","13.62","0.005","90","","90","","90","","1973.2","1.1","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0437","0.0281","","","0.0571","0.0624","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122310","20.4733","0.0007","7.0919","0.0003","13.3346","0.0004","90","","90","","90","","1936.11","0.12","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.05","0.0381","","","0.0975","0.1052","","","","","","1.106","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4123465","6.8051","0.0011","5.4529","0.0009","9.1425","0.0015","90","","90","","90","","339.26","0.1","30","2","30","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.25","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0449","0.0311","","","0.061","0.0657","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4124519","3.8186","","4.0842","","9.0656","","90","","90","","90","","141.386","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li0.51 Ti O2","","- Li0.51 O2 Ti -","- Li0.51 O2 Ti -","- Li2.04 O8 Ti4 -","4","0.25","","Wagemaker, M.; Kearley, G.J.; van Well, A.A.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124520","3.8141","","4.0771","","9.042","","90","","90","","90","","140.607","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Li0.59 Ti O2","","- Li0.59 O2 Ti -","- Li0.59 O2 Ti -","- Li2.36 O8 Ti4 -","4","0.25","","Wagemaker, M.; Kearley, G.J.; van Well, A.A.; Mutka, H.; Mulder, F.M.","Multiple Li positions inside oxygen octahedra in lithiated Ti O2 anatase","Journal of the American Chemical Society","2003","125","","840","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125937","28.151","0.0002","28.1718","0.0003","39.9493","0.0004","90","","90","","90","","31682.4","0.5","99.9","0.4","99.9","0.4","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C156 H96 O32 Zr6 -","- C156 H92 O32 Zr6 -","- C624 H368 O128 Zr24 -","4","0.25","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","1.54184","CuKα","","0.0938","0.0886","","","0.2499","0.2547","","","","","","1.048","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4128047","22.374","0.003","6.9783","0.0008","13.2425","0.0015","90","","90","","90","","2067.6","0.4","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Br Cu N3 -","- C8 H6 Br Cu N3 -","- C64 H48 Br8 Cu8 N24 -","8","0.5","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.7288","synchrotron","","0.0839","0.0713","","","0.2193","0.236","","","","","","1.135","","","","has coordinates","221180","2020-10-21","18:00:00",""
"4128817","16.188","0.005","6.624","0.002","13.52","0.006","90","","90","","90","","1449.7","0.9","110","","110","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H4 Al O7.61 -","- C8 H5 Al O6.998 -","- C32 H20 Al4 O27.992 -","4","0.25","","Chen, Shoushun; Mukherjee, Soumya; Lucier, Bryan E. G.; Guo, Ying; Wong, Y. T. Angel; Terskikh, Victor V.; Zaworotko, Michael J.; Huang, Yining","Cleaving Carboxyls: Understanding Thermally Triggered Hierarchical Pores in the Metal-Organic Framework MIL-121.","Journal of the American Chemical Society","2019","141","36","14257","14271","10.1021/jacs.9b06194","","","0.71073","MoKα","","0.0765","0.0665","","","0.1912","0.1975","","","","","","1.452","","","","has coordinates,has disorder","221882","2020-10-21","18:00:00",""
"4128922","52.0499","0.0012","21.5528","0.0005","26.1891","0.0006","90","","90","","90","","29379.5","1.2","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.0994","0.0721","","","0.1794","0.2021","","","","","","1.116","","","","has coordinates,has disorder","221958","2020-10-21","18:00:00",""
"4128923","52.037","0.0013","21.5548","0.0005","26.1839","0.0007","90","","90","","90","","29369.1","1.3","100","","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.082","0.066","","","0.1533","0.1653","","","","","","1.222","","","","has coordinates,has disorder","221959","2020-10-21","18:00:00",""
"4131705","6.352","0.0007","12.4378","0.0009","43.97","0.003","90","","90","","90","","3473.8","0.5","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C4 H24 I10 N6 Pb3 -","- C4 H24 I10 N6 Pb3 -","- C16 H96 I40 N24 Pb12 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0863","0.0597","","","0.1254","0.127","","","","3.4","3.4","2.8","","","","has coordinates","241874","2020-10-21","18:00:00",""
"4131707","6.4286","0.0006","12.4577","0.0009","18.8258","0.0013","90","","90","","90","","1507.7","0.2","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C2 H12 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C8 H56 I16 N16 Pb4 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0677","0.0575","","","0.1356","0.1361","","","","3.6","3.6","3.18","","","","has coordinates","241876","2020-10-21","18:00:00",""
"4132819","25.297","0.008","28.549","0.006","13.719","0.005","90","","90","","90","","9908","5","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C12.76 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2241","0.1303","","","0.3431","0.4277","","","","","","1.212","","","","has coordinates,has disorder","242717","2020-10-21","18:00:00",""
"4132820","25.238","0.003","26.867","0.003","16.779","0.002","90","","90","","90","","11377","2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H6 O16 Zr3 -","- C13 H6 O16 Zr3 -","- C104 H48 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1224","0.0824","","","0.2176","0.2713","","","","","","1.015","","","","has coordinates","242718","2020-10-21","18:00:00",""
"4132821","25.325","0.002","28.408","0.003","14.2372","0.0016","90","","90","","90","","10242.7","1.8","300","","299.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.192","0.1222","","","0.3282","0.4042","","","","","","1.249","","","","has coordinates,has disorder","242719","2020-10-21","18:00:00",""
"4132822","25.1372","0.0007","28.199","0.0008","15.8108","0.0005","90","","90","","90","","11207.4","0.6","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11.87 H5 O16 Zr3 -","- C11.8666 H5 O16 Zr3 -","- C94.9328 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.0692","0.0473","","","0.1401","0.1501","","","","","","1.076","","","","has coordinates","242720","2020-10-21","18:00:00",""
"4132823","25.1305","0.0009","26.1041","0.0011","18.9051","0.0009","90","","90","","90","","12401.9","0.9","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H3 O16 Zr4.8 -","- C13 H3 O16 Zr4.8 -","- C104 H24 O128 Zr38.4 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2184","0.1547","","","0.4405","0.4817","","","","","","1.834","","","","has coordinates","242721","2020-10-21","18:00:00",""
"4132824","25.385","0.003","30.661","0.003","8.2771","0.0009","90","","90","","90","","6442.3","1.2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11 H5 O16 Zr3 -","- C11 H5 O16 Zr3 -","- C88 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1164","0.0882","","","0.2212","0.239","","","","","","1.037","","","","has coordinates","242722","2020-10-21","18:00:00",""
"4132825","25.2517","0.0015","29.1742","0.0016","12.7318","0.0011","90","","90","","90","","9379.5","1.1","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C23 H10 O28 Zr6 -","- C23 H10 O28 Zr6 -","- C92 H40 O112 Zr24 -","4","0.25","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1176","0.0741","","","0.1961","0.2359","","","","","","0.952","","","","has coordinates","242723","2020-10-21","18:00:00",""
"4132826","25.347","0.002","28.534","0.004","13.8822","0.0015","90","","90","","90","","10040.3","1.9","250","","249.98","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2331","0.1297","","","0.3353","0.4277","","","","","","1.177","","","","has coordinates","242724","2020-10-21","18:00:00",""
"4133770","52.118","0.003","21.587","0.0012","26.1688","0.0016","90","","90","","90","","29442","3","100","2","100","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- Co3.69 K3.14 Li0.8 Mo Na1.28 O131.76 P5 W29 -","- Co3.694 K3.294 Li0.8 Mo Na1.01 O131.318 P5 W29 -","- Co29.552 K26.352 Li6.4 Mo8 Na8.08 O1050.55 P40 W232 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0831","0.0614","","","0.1375","0.1506","","","","","","1.137","","","","has coordinates,has disorder","245115","2020-10-21","18:00:00",""
"4133772","52.137","0.003","21.5598","0.0012","26.1562","0.0016","90","","90","","90","","29401","3","100","2","100","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- K3.28 Na1.65 O138.58 P5 W30 Zn3.46 -","- K3.2866 Na1.65 O138.583 P5 W30 Zn3.46 -","- K26.2928 Na13.2 O1108.66 P40 W240 Zn27.68 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.122","0.0887","","","0.2113","0.2452","","","","","","1.059","","","","has coordinates,has disorder","245117","2020-10-21","18:00:00",""
"4133773","52.178","0.003","21.6024","0.0012","26.1423","0.0016","90","","90","","90","","29467","3","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Fe3.5 K2.75 Li Na1.25 O128.33 P5 W30 -","- Fe3.5 K2.75 Li Na1.25 O128.333 P5 W30 -","- Fe28 K22 Li8 Na10 O1026.67 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1181","0.0722","","","0.1579","0.1784","","","","","","1.05","","","","has coordinates,has disorder","245118","2020-10-21","18:00:00",""
"4133774","52.101","0.009","21.545","0.004","26.104","0.005","90","","90","","90","","29302","9","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- K1.42 Li0.6 Na1.28 Ni3.01 O133.68 P5 W30 -","- K1.422 Li0.6 Na1.28 Ni3.004 O133.675 P5 W30 -","- K11.376 Li4.8 Na10.24 Ni24.032 O1069.4 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1215","0.0864","","","0.1811","0.2118","","","","","","1.07","","","","has coordinates,has disorder","245119","2020-10-21","18:00:00",""
"4133775","52.361","0.003","21.6772","0.0012","26.1817","0.0016","90","","90","","90","","29717","3","100","2","100","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- Fe3.38 K3.86 Li Mo Na1.01 O126.73 P5 W29 -","- Fe3.374 K3.8533 Li Mo Na1.02 O126.733 P5 W29 -","- Fe26.992 K30.8264 Li8 Mo8 Na8.16 O1013.86 P40 W232 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0969","0.0831","","","0.1797","0.1888","","","","","","1.175","","","","has coordinates,has disorder","245120","2020-10-21","18:00:00",""
"4133777","52.548","0.003","21.6349","0.0012","25.8226","0.0016","90","","90","","90","","29357","3","100","2","100","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- Cu3.04 K3.25 Na1.45 O133.47 P5 W30 -","- Cu3.038 K3.25 Na1.46 O133.47 P5 W30 -","- Cu24.304 K26 Na11.68 O1067.76 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1231","0.0881","","","0.2074","0.2422","","","","","","1.051","","","","has coordinates,has disorder","245122","2020-10-21","18:00:00",""
"4133778","52.303","0.008","21.664","0.002","26.055","0.003","90","","90","","90","","29523","6","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- K1.73 Li0.25 Mn3.3 Na2.44 O125 P5 W30 -","- K1.73 Li0.25 Mn3.3 Na2.45 O125 P5 W30 -","- K13.84 Li2 Mn26.4 Na19.6 O1000 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0999","0.0679","","","0.1607","0.1751","","","","","","1.094","","","","has coordinates,has disorder","245123","2020-10-21","18:00:00",""
"4302643","5.5615","0.0011","19.645","0.004","8.5024","0.0017","90","","90","","90","","928.9","0.3","293","2","293","2","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Au5 In K3 -","- Au5 In K3 -","- Au20 In4 K12 -","4","0.25","","Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett","Gold Tetrahedra as Building Blocks in K3Au5Tr (Tr = In, Tl) and Rb2Au3Tl and in Other Compounds: A Broad Group of Electron-Poor Intermetallic Phases","Inorganic Chemistry","2009","48","","6573","6583","10.1021/ic9004856","","","0.71073","MoKα","","0.0295","0.0273","","","0.0609","0.0615","","","","","","1.092","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302644","5.595","0.0011","19.706","0.004","8.43","0.0017","90","","90","","90","","929.5","0.3","293","2","293","2","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Au5 K3 Tl -","- Au5 K3 Tl -","- Au20 K12 Tl4 -","4","0.25","","Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett","Gold Tetrahedra as Building Blocks in K3Au5Tr (Tr = In, Tl) and Rb2Au3Tl and in Other Compounds: A Broad Group of Electron-Poor Intermetallic Phases","Inorganic Chemistry","2009","48","","6573","6583","10.1021/ic9004856","","","0.71073","MoKα","","0.0464","0.0433","","","0.1059","0.1074","","","","","","1.264","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4303135","16.6995","0.0015","16.7106","0.0016","9.7907","0.001","90","","90","","90","","2732.2","0.5","93.1","","","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C12 H4 Ho Na5 O25 -","- C12 H4 Ho Na5 O25 -","- C48 H16 Ho4 Na20 O100 -","4","0.25","","Koji Nakabayashi; Shin-ichi Ohkoshi","Monometallic Lanthanoid Assembly Showing Ferromagnetism with a Curie Temperature of 11 K","Inorganic Chemistry","2009","48","","8647","8649","10.1021/ic900625a","","","0.71075","MoKα","","","0.0568","","","","0.1527","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303463","15.2609","0.0004","27.036","0.0008","9.5603","0.0003","90","","90","","90","","3944.5","0.2","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C27 H30 Cu2 N2 O10 S2 -","- C27 H30 Cu2 N2 O10 S2 -","- C108 H120 Cu8 N8 O40 S8 -","4","0.25","","Jeong Yong Lee; John M. Roberts; Omar K. Farha; Amy A. Sarjeant; Karl A. Scheidt; Joseph T. Hupp","Synthesis and Gas Sorption Properties of a Metal-Azolium Framework (MAF) Material","Inorganic Chemistry","2009","48","","9971","9973","10.1021/ic901174p","","","0.71073","MoKα","","0.2406","0.1086","","","0.3205","0.3462","","","","","","0.931","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4305225","17.287","0.011","6.727","0.005","12.461","0.009","90","","90","","90","","1449.1","1.8","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H10 Ga N O5 -","- C13 H4 Ga N O5 -","- C52 H16 Ga4 N4 O20 -","4","0.25","","Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson","Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates","Inorganic Chemistry","2008","47","","11535","11542","10.1021/ic800008f","","","0.71073","MoKα","","0.0675","0.0623","","","0.1795","0.1864","","","","","","1.09","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305226","18.23","0.02","6.734","0.008","11.062","0.012","90","","90","","90","","1358","3","570","2","570","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11.75 H8.75 Ga N O5 -","- C11.85 H8.85 Ga N0.77 O5 -","- C47.4 H35.4 Ga4 N3.08 O20 -","4","0.25","","Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson","Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates","Inorganic Chemistry","2008","47","","11535","11542","10.1021/ic800008f","","","0.71073","MoKα","","0.0838","0.0737","","","0.1755","0.1815","","","","","","1.189","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4306826","21.6546","0.0016","30.901","0.002","9.2945","0.0008","90","","90","","90","","6219.4","0.8","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C20 H16 N O5 Zn -","- C20 H16 N O5 Zn -","- C160 H128 N8 O40 Zn8 -","8","0.5","","Omar K. Farha; Karen L. Mulfort; Joseph T. Hupp","An Example of Node-Based Postassembly Elaboration of a Hydrogen-Sorbing, Metal-Organic Framework Material","Inorganic Chemistry","2008","47","","10223","10225","10.1021/ic8018452","","","0.71073","MoKα","","0.1625","0.1009","","","0.253","0.2691","","","","","","0.838","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4316807","5.7439","0.0003","3.9888","0.0002","32.633","0.002","90","","90","","90","","747.66","0.07","550","","550","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- Ba Bi0.1 Fe2.1 O8 Pb1.9 Ti0.9 -","- Ba Bi0.1 Fe2.1 O8 Pb1.9 Ti0.9 -","- Ba4 Bi0.4 Fe8.4 O32 Pb7.6 Ti3.6 -","4","0.25","","Artem M. Abakumov; Joke Hadermann; Maria Batuk; Hans D'Hondt; Oleg A. Tyablikov; Marina G. Rozova; Konstantin V. Pokholok; Dmitry S. Filimonov; Denis V. Sheptyakov; Alexander A. Tsirlin; Daniel Niermann; Joachim Hemberger; Gustaaf Van Tendeloo; Evgeny V. Antipov","Slicing the Perovskite Structure with Crystallographic Shear Planes: The AnBnO3n-2 Homologous Series","Inorganic Chemistry","2010","49","","9508","9516","10.1021/ic101233s","powder diffraction","neutron","1.494","neutron","","0.0326","0.0318","","","0.0302","0.0302","","","1.77","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4317141","10.4782","0.0016","5.9769","0.0009","8.1245","0.0019","90","","90","","90","","508.81","0.16","293","2","293","2","","","","","","","","2","I m m a","-I 2b 2","74","","","","- B7 Mg -","- B7 Mg -","- B56 Mg8 -","8","0.5","","Alexis Pediaditakis; Melanie Schroeder; Vanessa Sagawe; Thilo Ludwig; Harald Hillebrecht","Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB7 and the New Boride Mg~5B44","Inorganic Chemistry","2010","49","","10882","10893","10.1021/ic1012389","","","0.71073","MoKα","","0.0343","0.0178","","","0.0388","0.0423","","","","","","1.011","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4329097","15.7895","0.0013","7.13275","0.00055","8.72068","0.0006","90","","90","","90","","982.15","0.13","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","catena-4,4'-bipyrazolato-cu(ii) acetonitrile solvate","","- C8 H7 Cu N5 -","- C8 H7 Cu N5 -","- C32 H28 Cu4 N20 -","4","0.25","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329098","14.6599","0.0017","6.94944","0.0007","10.0239","0.0011","90","","90","","90","","1021.22","0.19","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","catena-4,4'-bipyrazolato-ni(ii) acetonitrile solvate","","- C8 H7 N5 Ni -","- C8 H7 N5 Ni -","- C32 H28 N20 Ni4 -","4","0.25","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330534","4.977","","8.579","","7.975","","90","","90","","90","","340.514","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Strontium silver indium (1/0.8/1.2)","","- Ag0.8 In1.2 Sr -","- Ag0.8 In1.2 Sr -","- Ag3.2 In4.8 Sr4 -","4","0.25","","Dai, J.-C.; Corbett, J.D.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","10.1021/ic051891k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331416","5.104","","8.461","","8.58","","90","","90","","90","","370.527","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba Au0.36 In1.64","","- Au0.36 Ba In1.64 -","- Au0.36 Ba In1.64 -","- Au1.44 Ba4 In6.56 -","4","0.25","","Dai, J.-C.; Corbett, J.D.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","10.1021/ic051891k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331417","5.14","","8.317","","8.809","","90","","90","","90","","376.579","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba Au0.40 Tl1.60","","- Au0.4 Ba Tl1.6 -","- Au0.4 Ba Tl1.6 -","- Au1.6 Ba4 Tl6.4 -","4","0.25","","Corbett, J.D.; Dai, J.-C.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","10.1021/ic051891k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331447","4.9698","","7.1337","","8.3001","","90","","90","","90","","294.264","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","La Ni3 B1.79","","- B1.79 La Ni3 -","- B1.79 La Ni3 -","- B7.16 La4 Ni12 -","4","0.25","","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","10.1021/ic050416j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331626","21.443","0.003","6.957","0.004","20.57","0.002","90","","90","","90","","3068.6","1.8","293","2","293","2","","","","","","","","3","I m m a","-I 2b 2","74","[V(IV)O(BPDC)]","","","- C14 O5 V -","- C7 O2.5 V0.5 -","- C56 O20 V4 -","8","0.5","","Ying-Ya Liu; Sarah Couck; Matthias Vandichel; Maciej Grzywa; Karen Leus; Shyam Biswas; Dirk Volkmer; Jorge Gascon; Freek Kapteijn; Joeri F. M. Denayer; Michel Waroquier; Veronique Van Speybroeck; Pascal Van Der Voort","New VIV-Based Metal-Organic Framework Having Framework Flexibility and High CO2Adsorption Capacity","Inorganic Chemistry","2013","52","","113","120","10.1021/ic301338a","powder diffraction","","1.5418","CuKα","","0.1298","0.0875","","","0.064","0.0979","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340843","7.14","0.0018","13.503","0.004","18.308","0.005","90","","90","","90","","1765.1","0.8","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C14 H16 Co N4 O7 -","- C14 H10 Co N4 O7 -","- C56 H40 Co4 N16 O28 -","4","0.25","","Zhang, Jian-Yong; Wang, Kun; Li, Xiu-Bing; Gao, En-Qing","Magnetic Coupling and Slow Relaxation of Magnetization in Chain-Based Mn(II), Co(II), and Ni(II) Coordination Frameworks.","Inorganic chemistry","2014","53","17","9306","9314","10.1021/ic5014279","","","0.71073","MoKα","","0.0554","0.0458","","","0.1272","0.1351","","","","","","1.03","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340844","7.3498","0.0015","13.692","0.003","18.208","0.004","90","","90","","90","","1832.3","0.7","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C14 H16 Mn N4 O7 -","- C14 H10 Mn N4 O7 -","- C56 H40 Mn4 N16 O28 -","4","0.25","","Zhang, Jian-Yong; Wang, Kun; Li, Xiu-Bing; Gao, En-Qing","Magnetic Coupling and Slow Relaxation of Magnetization in Chain-Based Mn(II), Co(II), and Ni(II) Coordination Frameworks.","Inorganic chemistry","2014","53","17","9306","9314","10.1021/ic5014279","","","0.71073","MoKα","","0.0649","0.059","","","0.1628","0.1678","","","","","","1.046","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340930","20.949","0.008","6.507","0.002","16.4","0.006","90","","90","","90","","2235.6","1.4","223","2","223","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2.25 H Cr0.25 N2 O0.25 -","- C2.25 H Cr0.25 N2 O0.25 -","- C36 H16 Cr4 N32 O4 -","16","1","","Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu","Synthesis and porous properties of chromium azolate porous coordination polymers.","Inorganic chemistry","2014","53","18","9870","9875","10.1021/ic501459m","","","0.71075","MoKα","","0.0979","0.0895","","","0.2878","0.2954","","","","","","1.291","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341767","8.3421","0.0008","4.8728","0.0005","13.7202","0.0009","90","","90","","90","","557.72","0.09","293","","293","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba4 Ge20 -","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","0.43046","synchrotron","","0.0126","0.0126","","0.0186","0.0186","","","","0.76","","","","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341884","8.3421","0.0008","4.8728","0.0005","13.7202","0.0009","90","","90","","90","","557.72","0.09","293","","293","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba4 Ge20 -","4","0.25","","Castillo, Rodrigo; Carrillo-Cabrera, Wilder; Schwarz, Ulrich; Grin, Yuri","Classical and Nonclassical Germanium Environments in High-Pressure BaGe5.","Inorganic chemistry","2015","54","3","1019","1025","10.1021/ic502396p","powder diffraction","x-ray","0.43046","synchrotron","","0.0126","0.0126","","0.0186","0.0186","","","","0.76","","","","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4342234","18.365","0.01","6.855","0.004","10.38","0.006","90","","90","","90","","1306.8","1.3","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C14 H8 O6 V -","- C14 H8 O6 V -","- C56 H32 O24 V4 -","4","0.25","","Kaveevivitchai, Watchareeya; Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Two Distinct Redox Intercalation Reactions of Hydroquinone with Porous Vanadium Benzenedicarboxylate MIL-47.","Inorganic chemistry","2015","54","4","1822","1828","10.1021/ic502730y","","","0.71073","MoKα","","0.11","0.1004","","","0.2478","0.2528","","","","","","1.253","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342481","7.3313","0.0003","13.1945","0.0006","14.5373","0.0006","90","","90","","90","","1406.23","0.1","100","","100","","","","","","","","","5","I m m a","-I 2b 2","74","Cr(CO)5(CNXylyl)","","","- C14 H9 Cr N O5 -","- C14 H9 Cr N O5 -","- C56 H36 Cr4 N4 O20 -","4","0.25","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","1.54178","CuKα","","0.0379","0.0371","","","0.1145","0.1154","","","","","","1.149","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4343775","7.489","","10.897","","6.671","","90","","90","","90","","544.405","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Fe2 F5 (H2 O)2","","- F5 Fe2 H4 O2 -","- F5 Fe2 O2 -","- F20 Fe8 O8 -","4","0.25","","Hall, W.; Kim, S.; Zubieta, J.; Walton, E.G.; Brown, D.B.","Structure of a mixed-valence iron fluoride, Fe2 F5 (H2 O)2","Inorganic Chemistry","1977","16","","1884","1887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343831","5.145","","8.373","","8.715","","90","","90","","90","","375.434","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Ba Hg0.92 In1.08 -","- Ba Hg0.92 In1.08 -","- Ba4 Hg3.68 In4.32 -","4","0.25","","Dai, J.-C.; Corbett, J.D.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343842","4.97675","","7.14917","","8.30753","","90","","90","","90","","295.579","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","La Ni3 B1.69","","- B1.69 La Ni3 -","- B1.69 La Ni3 -","- B6.76 La4 Ni12 -","4","0.25","","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",""
"4344056","4.9018","0.0004","7.8237","0.0005","8.4457","0.0005","90","","90","","90","","323.89","0.04","296","2","296","2","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Au0.46 Eu In1.53 -","- Au0.464 Eu In1.536 -","- Au1.856 Eu4 In6.144 -","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","","0.0527","0.0345","","","0.0689","0.0766","","","","","","1.042","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4349919","15.2776","0.001","7.20969","0.00054","9.65271","0.00062","90","","90","","90","","1063.21","0.13","298","","298","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.7 H11.3 Cu N5.9 O0.9 -","- C8.85 H11.65 Cu N5.95 O0.9501 -","- C35.4 H46.6 Cu4 N23.8 O3.8004 -","4","0.25","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349920","14.9282","0.0019","6.91409","0.00097","9.6033","0.0013","90","","90","","90","","991.2","0.2","298","","298","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.6 N5.8 Ni O0.8 -","- C8.1504 H9.3008 N5.7168 Ni O0.7168 -","- C32.6016 H37.2032 N22.8672 Ni4 O2.8672 -","4","0.25","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4503757","17.772","0.005","36.874","0.01","12.641","0.004","90","","90","","90","","8284","4","291","2","291","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C55 H35 Cl20 Mn5 N5 O25 -","- C55 H35 Cl20 Mn5 N5 O25 -","- C220 H140 Cl80 Mn20 N20 O100 -","4","0.25","","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","","0.0978","0.0557","","","0.1104","0.1188","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506896","21.309","0.004","23.981","0.005","16.055","0.003","90","","90","","90","","8204","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C8 H12.5 Cd2 K0.5 N6 O13.5 -","- C8 Cd2 K0.5 N6 O13.5125 -","- C128 Cd32 K8 N96 O216.2 -","16","1","","Zhao, Tingting; Jing, Xuemin; Wang, Jing; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two 3D Porous Metal‒Organic Frameworks Based on 1,2,3-Triazole-4,5-dicarboxylate Exhibiting Novel Coordination Modes","Crystal Growth & Design","2012","12","11","5456","","10.1021/cg301041n","","","0.71073","MoKα","","0.0926","0.0484","","","0.1149","0.1395","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511460","6.764","0.004","6.981","0.004","12.338","0.007","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 H2 Cl2 Cu2 N3 -","- C2 H2 Cl2 Cu2 N3 -","- C8 H8 Cl8 Cu8 N12 -","4","0.25","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0272","0.0268","","","0.0636","0.0638","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4516196","14.1404","0.0003","5.79829","0.00012","14.2252","0.0003","90","","90","","90","","1166.33","0.04","100","","100","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H14 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; Han, Dan; Chen, Shiyou; Yang, Dong; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu; Dong, Angang","A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions","ACS Energy Letters","2018","3","6","1443","","10.1021/acsenergylett.8b00661","","","0.71073","MoKα","","0.0302","0.028","","0.0575","0.0565","0.0575","","","","","","1.0827","","","","has coordinates","226182","2020-10-21","18:00:00",""
"6000008","4.811","","8.9624","","10.897","","90","","90","","90","","469.86","","","","","","","","","","","","","3","I m m a","","","","","","- H5 Ir Mg4 -","","","","","","Bonhomme, F.; Stetson, N. T.; Yvon, K.; Fischer, P.; Hewat, A. W.","Orthorhombic Mg4IrD5 with disordered deuterium distribution","Journal of Alloys and Compounds","1993","200","","65","68","10.1016/0925-8388(93)90472-Y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000403","5.646","","19.5","","8.412","","90","","90","","90","","926.14","","","","","","","","","","","","","3","I m m a","","","","","","- Au5 K3 Pb -","","","","","","Zachwieja, U.; Wlodarski, J.","K3Au5Pb: Layers of (2)(infinity)[AuAu3/2] gold tetrahedra and (1)(infinity)[Pb-2/2] lead chains","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1569","1572","10.1002/(SICI)1521-3749(199810)624:10<1569::AID-ZAAC1569>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000343","6.623","0.002","16.893","0.003","12.592","0.002","90","","90","","90","","1408.8","0.5","293","","293","","","","","","","","","4","I m m a","-I 2b 2","74","included ferrocene in MIL-53(Al)","","","- C52 Al4 Fe2 O20 -","- C52 Al4 Fe2 O20 -","- C52 Al4 Fe2 O20 -","1","0.0625","","Meilikhov, Mikhail; Yusenko, Kirill; Fischer, Roland A.","The adsorbate structure of ferrocene inside [Al(OH)(bdc)]x (MIL-53): a powder X-ray diffraction study","Dalton Transactions","2009","","4","600","","10.1039/b820882b","powder diffraction","","1.54178","CuKα","","0.0952","0.0947","","","0.071","0.0712","","","","","","","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000344","6.654","0.002","16.448","0.003","13.375","0.002","90","","90","","90","","1463.8","0.6","293","","293","","","","","","","","","4","I m m a","-I 2b 2","74","1-ferrocene-aldehyde in MIL-53(Al)","","","- C45.32 Al4 Fe1.33 O21.33 -","- C45.3176 Al4 Fe1.332 O21.3328 -","- C45.3176 Al4 Fe1.332 O21.3328 -","1","0.0625","","Meilikhov, Mikhail; Yusenko, Kirill; Fischer, Roland A.","The adsorbate structure of ferrocene inside [Al(OH)(bdc)]x (MIL-53): a powder X-ray diffraction study","Dalton Transactions","2009","","4","600","","10.1039/b820882b","powder diffraction","","1.54178","CuKα","","0.0863","0.0826","","","0.0675","0.0678","","","","","","","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000954","8.465","0.0007","10.425","0.0011","7.775","0.0006","90","","90","","90","","686.13","0.11","213","2","213","2","","","","","","","","6","I m m a","-I 2b 2","74","Silver(i) Perchlorate complex with 1,2,4,5-tetrazine","Silver(I) Perchlorate complex with 1,2,4,5-tetrazine","","- C2 H2 Ag Cl N4 O4 -","- C2 H2 Ag Cl N4 O4.16 -","- C8 H8 Ag4 Cl4 N16 O16.64 -","4","0.25","","Gural'skiy, Il'ya A.; Escudero, Daniel; Frontera, Antonio; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions","Dalton Transactions","2009","","15","2856","2864","10.1039/b818125j","","","0.71073","MoKα","","0.0449","0.0326","","","0.0845","0.088","","","","","","1.037","","","","has coordinates,has disorder","179687","2020-10-21","18:00:00",""
"7002860","8.658","0.004","11.709","0.003","8.307","0.002","90","","90","","90","","842.1","0.5","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C3 H3 Co N3 O6 -","- C3 H3 Co N3 O6 -","- C12 H12 Co4 N12 O24 -","4","0.25","","Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi","Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour","Dalton Transactions","2009","","46","10343","10352","10.1039/b916878h","","","0.71073","MoKα","","0.0967","0.0838","","","0.2243","0.2453","","","","","","1.138","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7018280","18.279","0.007","7.33","0.003","11.601","0.004","90","","90","","90","","1554.4","1","93","","93","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 N O8 Sc -","- C8 N O8 Sc -","- C32 N4 O32 Sc4 -","4","0.25","","Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.","A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3937","3941","10.1039/c1dt11729g","","","0.71075","MoKα","","0.0778","0.0676","","","0.2135","0.2253","","","","","","1.211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020478","26.182","0.002","12.7579","0.0008","14.2467","0.0008","90","","90","","90","","4758.8","0.5","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C32 H34 Cu Fe2 N12 O5 -","- C32 H24 Cu Fe2 N12 O5 -","- C128 H96 Cu4 Fe8 N48 O20 -","4","0.25","","Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13716","13726","10.1039/c2dt31675g","","x-ray","0.71073","MoKα","","0.1827","0.0835","","","0.2288","0.2801","","","","","","1.023","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020479","26.78","0.003","12.585","0.002","14.116","0.002","90","","90","","90","","4757.5","1.1","150","0.1","150","0.1","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C32 H46 Fe2 N12 Ni O11 -","- C32 H24 Fe2 N12 Ni O11 -","- C128 H96 Fe8 N48 Ni4 O44 -","4","0.25","","Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13716","13726","10.1039/c2dt31675g","","","1.5418","CuKα","","0.1432","0.1059","","","0.2786","0.3068","","","","","","1.104","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020480","27.235","0.002","12.4825","0.0008","14.2559","0.0008","90","","90","","90","","4846.4","0.5","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C32 H35 Co Fe2 N12 O5.5 -","- C32 H24 Co Fe2 N12 O5.5 -","- C128 H96 Co4 Fe8 N48 O22 -","4","0.25","","Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13716","13726","10.1039/c2dt31675g","","x-ray","0.71073","MoKα","","0.0958","0.0686","","","0.1921","0.2142","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023703","9.1552","0.0003","7.4896","0.0002","9.4644","0.0003","90","","90","","90","","648.96","0.03","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 H3 F5 Fe2 N3 -","- C2 H3 F5 Fe2 N3 -","- C8 H12 F20 Fe8 N12 -","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","powder diffraction","","1.5418","CuKα","","","","","","","","","3.0467","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7031934","16.0556","0.0008","7.4052","0.0003","25.1009","0.0012","90","","90","","90","","2984.4","0.2","120","2","120","2","","","","","","","","6","I m m a","-I 2b 2","74","","Crystal 3a","","- C20 H34 B10 N2 Pt S2 -","- C20 H34 B10 N2 Pt S2 -","- C80 H136 B40 N8 Pt4 S8 -","4","0.25","","Pintus, Anna; Aragoni, M. Carla; Coles, Simon J.; Coles Née Huth, Susanne L; Isaia, Francesco; Lippolis, Vito; Musteti, Ana-Daniela; Teixidor, Francesc; Viñas, Clara; Arca, Massimiliano","New Pt(II) diimine-dithiolate complexes containing a 1,2-dithiolate-1,2-closo-dicarbadodecarborane: an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13649","13660","10.1039/c4dt01929f","","","0.71073","MoKα","","0.0407","0.0331","","","0.0653","0.0677","","","","","","1.049","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7033827","10.42821","0.00012","13.19862","0.00015","6.47634","0.00008","90","","90","","90","","891.39","0.018","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Fe Na2 Ni2 O12 P3 -","- Fe Na2 Ni2 O12 P3 -","- Fe4 Na8 Ni8 O48 P12 -","4","0.25","","Essehli, R.; Belharouak, I.; Ben Yahia, H.; Chamoun, R.; Orayech, B.; El Bali, B.; Bouziane, K.; Zhou, X. L.; Zhou, Z.","α-Na2Ni2Fe(PO4)3: a dual positive/negative electrode material for sodium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4526","4532","10.1039/c5dt00021a","powder diffraction","x-ray","1.5418","","","0.0675","0.0556","","0.0447","0.0436","","","","1.15","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7036638","14.162","0.006","7.913","0.003","13.627","0.004","90","","90","","90","","1527.1","1","295","2","295","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C24 H40 I16 N16 -","4","0.25","","Węcławik, M; Szklarz, P.; Medycki, W.; Janicki, R.; Piecha-Bisiorek, A; Zieliński, P; Jakubas, R.","Unprecedented transformation of [I(-)·I3(-)] to [I4(2-)] polyiodides in the solid state: structures, phase transitions and characterization of dipyrazolium iodide triiodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18447","18458","10.1039/c5dt02265g","","","0.71073","MoKα","","0.0765","0.0392","","","0.095","0.1144","","","","","","1.005","","","","has coordinates,has disorder","171278","2020-10-21","18:00:00",""
"7036808","6.6111","0.0017","10.992","0.0013","20.658","0.002","90","","90","","90","","1501.2","0.4","291","2","291","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C14 H14 Cu F4 N4 O5 -","- C14 H14 Cu F4 N4 O5 -","- C56 H56 Cu4 F16 N16 O20 -","4","0.25","","Liu, Qi; Liu, Xiuxiu; Shi, Changdong; Zhang, Yanpeng; Feng, Xuejun; Cheng, Mei-Ling; Su, Seng; Gu, Jiande","A copper-based layered coordination polymer: synthesis, magnetic properties and electrochemical performance in supercapacitors.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19175","19184","10.1039/c5dt02918j","","","0.71073","MoKα","","0.0867","0.0561","","","0.1013","0.1067","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7041399","9.477","0.0008","34.8","0.003","25.01","0.002","90","","90","","90","","8248.3","1.2","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C40 H24 N12 O16 Zn5 -","- C40 H24 N12 O16 Zn5 -","- C160 H96 N48 O64 Zn20 -","4","0.25","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Microporous rod metal-organic frameworks with diverse Zn/Cd-triazolate ribbons as secondary building units for CO2 uptake and selective adsorption of hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","836","844","10.1039/c6dt04433f","","","0.71073","MoKα","","0.1637","0.0648","","","0.1446","0.1541","","","","","","1.09","","","","has coordinates","191627","2020-10-21","18:00:00",""
"7042543","9.0753","0.0002","7.44521","0.00017","9.4607","0.0002","90","","90","","90","","639.24","0.02","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.06 N3 Zn0.94 -","- C2 F5 Fe1.06 N3 Zn0.94 -","- C8 F20 Fe4.24 N12 Zn3.76 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","4.0239","1.4206","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042544","9.0193","0.0004","7.3421","0.0003","9.3901","0.0004","90","","90","","90","","621.82","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 Co F5 Ga N3 -","- C2 Co F5 Ga N3 -","- C8 Co4 F20 Ga4 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","5.6598","1.4012","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042545","9.0882","0.0005","7.4479","0.0004","9.4689","0.0005","90","","90","","90","","640.93","0.06","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 Co0.93 F5 Fe1.07 N3 -","- C2 Co0.93 F5 Fe1.07 N3 -","- C8 Co3.72 F20 Fe4.28 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","6.3982","0.9975","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042546","9.0738","0.0004","7.4627","0.0003","9.4407","0.0004","90","","90","","90","","639.28","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 Co F5 N3 V -","- C2 Co F5 N3 V -","- C8 Co4 F20 N12 V4 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","5.6681","1.0803","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042547","9.0595","0.0004","7.4628","0.0003","9.4321","0.0004","90","","90","","90","","637.7","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 N3 V Zn -","- C2 F5 N3 V Zn -","- C8 F20 N12 V4 Zn4 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","3.8384","3.4712","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042548","9.1404","0.0004","7.4753","0.0003","9.4629","0.0004","90","","90","","90","","646.57","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.39 Ga0.61 N3 -","- C2 F5 Fe1.39 Ga0.61 N3 -","- C8 F20 Fe5.56 Ga2.44 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","5.2","1.3227","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042549","9.1583","0.0003","7.4912","0.0002","9.4607","0.0003","90","","90","","90","","649.07","0.03","296","","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C2 F5 Fe2 N3 -","- C2 F5 Fe2 N3 -","- C8 F20 Fe8 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","4.8167","0.9905","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042550","9.2723","0.0003","7.5057","0.0002","9.5831","0.0003","90","","90","","90","","666.94","0.03","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.17 Mn0.83 N3 -","- C2 F5 Fe1.17 Mn0.83 N3 -","- C8 F20 Fe4.68 Mn3.32 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","4.6888","1.1791","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042551","9.2919","0.0003","7.5003","0.0002","9.602","0.0003","90","","90","","90","","669.18","0.03","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.06 Mn0.94 N3 -","- C2 F5 Fe1.06 Mn0.94 N3 -","- C8 F20 Fe4.24 Mn3.76 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","3.9602","1.403","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7043201","8.7482","0.0017","12.089","0.002","9.0317","0.0018","90","","90","","90","","955.2","0.3","320","2","320","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C5 H10 Mn N2 O6 -","- C5 H10 Mn N2 O6 -","- C20 H40 Mn4 N8 O24 -","4","0.25","","maczka, miroslaw; Janczak, Jan; Trzebiatowska, Monika; Sieradzki, Adam; Pawlus, Sebastian; Pikul, Adam","Synthesis and temperature-dependent studies of perovskite-like manganese formate framework templated by protonated acetamidine","Dalton Trans.","2017","","","","","10.1039/C7DT01251A","","","0.71073","MoKα","","0.0371","0.0315","","","0.0855","0.0898","","","","","","1.004","","","","has coordinates,has disorder","197189","2020-10-21","18:00:00",""
"7061204","30.462","0.004","28.777","0.004","12.1091","0.0017","90","","90","","90","","10615","3","296.15","","296.15","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C66 H88 Cu3 N8 O29 -","- C46 H22 Cu3 O22 -","- C184 H88 Cu12 O88 -","4","0.25","","Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72−","New Journal of Chemistry","2022","46","9","4292","4299","10.1039/D1NJ06217D","","","0.71073","MoKα","","0.0655","0.0482","","","0.1165","0.1234","","","","","","0.945","","","","has coordinates","273407","2022-03-04","22:21:57",""
"7061487","14.5159","0.0016","7.2602","0.0008","13.1876","0.0014","90","","90","","90","","1389.8","0.3","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C10 H8 Fe N8 Ni -","- C10 H8 Fe N8 Ni -","- C40 H32 Fe4 N32 Ni4 -","4","0.25","","Kosone, Takashi; Kosuge, Ryota; Tanaka, Morie; Kawasaki, Takeshi; Adachi, Naoya","New family of Hofmann-like coordination polymers constructed with imidazole ligands and associated with spin crossover and anisotropic thermal expansions","New Journal of Chemistry","2022","46","22","10540","10544","10.1039/D2NJ00766E","","","0.71073","MoKα","","0.0595","0.0541","","","0.1472","0.1489","","","","","","1.262","","","","has coordinates,has disorder","276651","2022-07-06","08:23:32",""
"7100506","23.712","0.004","27.877","0.004","15.376","0.002","90","","90","","90","","10164","3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C34 H24 Cu2 N2 O10 -","- C34 H20 Cu2 N2 O10 -","- C136 H80 Cu8 N8 O40 -","4","0.25","","Hong-Cai Zhou.; Yanxiong Ke.; Betty A. Ooro; Tracy M. Peterson; Daofeng Sun.","Temperature-dependent supramolecular stereoisomerism in porous copper coordination networks based on a designed carboxylate ligand","Chemical Communications","2005","","","","","10.1039/b505664k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7104715","25.16","0.02","36.592","0.018","15.7272","0.0018","90","","90","","90","","14479","14","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C40 H28 Mg N2 O10 -","- C40 H24 Mg N2 O10 -","- C320 H192 Mg8 N16 O80 -","8","0.5","","Cheon, Young Eun; Park, Jungeun; Suh, Myunghyun Paik","Selective gas adsorption in a magnesium-based metal-organic framework.","Chemical communications (Cambridge, England)","2009","34","36","5436","5438","10.1039/b910228k","","","0.71073","MoKα","","0.2456","0.1109","","","0.2728","0.3181","","","","","","0.879","","","","has coordinates","180150","2020-10-21","18:00:00",""
"7115681","21.0197","0.0007","25.2728","0.0008","12.0096","0.0004","90","","90","","90","","6379.8","0.4","100","0.1","100","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C17.85 H111 Br N O41.69 -","- C17.8484 H112 Br N4 O41.6968 -","- C71.3936 H448 Br4 N16 O166.787 -","4","0.25","","S. Muromachi; K. A. Udachin; K. Shin; S. Alavi; I. L. Moudrakovski; R. Ohmura; J. A. Ripmeester","Guest-induced symmetry lowering of an ionic clathrate material for carbon capture","Chem.Commun.","2014","50","","11476","","10.1039/C4cc02111H","","","0.7107","MoKα","","0.0412","0.0266","","","0.0589","0.0651","","","","","","1.048","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7116796","18.8261","0.001","22.1934","0.0009","10.0062","0.0008","90","","90","","90","","4180.7","0.4","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","UTSA-60","","- C18 H14 Cu2 N0 O10 -","- C18 H14 Cu2 O10 -","- C72 H56 Cu8 O40 -","4","0.25","","Hui-Min Wen; Bin Li; Hailong Wang; Chuande Wu; Khalid Alfooty; Rajamani Krishna; Banglin Chen","A microporous metal-organic framework with rare lvt topology for highly selective C2H2/C2H4 separation at room temperature","Chem.Commun.","2015","51","","5610","","10.1039/C4cc09999K","","","1.54178","CuKα","","0.0806","0.0639","","","0.1574","0.17","","","","","","0.948","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7122502","8.3067","0.0002","11.1188","0.0003","14.7604","0.0004","90","","90","","90","","1363.28","0.06","300","2","300.01","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- K2 Na O14 Si4 U2 -","- K2 Na O14 Si4 U2 -","- K8 Na4 O56 Si16 U8 -","4","0.25","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0117","0.0111","","","0.035","0.0354","","","","","","1.144","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7202533","5.4358","0.0001","15.623","0.0004","5.6075","0.0001","90","","90","","90","","476.209","0.017","","","293","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Al1.07 Mn0.93 O5 Sr2 -","- Al1.07 Mn0.93 O5 Sr2 -","- Al4.28 Mn3.72 O20 Sr8 -","4","0.25","","Joke Hadermann; Artem M. Abakumov; Hans D'Hondt; Anna S. Kalyuzhnaya; Marina G. Rozova; Maria M. Markina; Mikhail G. Mikheev; Natalia Tristan; Rüdiger Klingeler; Bernd Büchner; Evgeny V. Antipov","Synthesis and crystal structure of the Sr2Al1.07Mn0.93O5 brownmillerite","Journal of Materials Chemistry","2007","17","7","692","","10.1039/b614168d","powder diffraction","","1.5406","X-ray","","0.037","0.0356","","","0.0213","0.0213","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7205661","15.2248","0.0003","36.4392","0.0007","10.3036","0.0002","90","","90","","90","","5716.23","0.19","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C38 H28 Cu2 N4 O14 -","- C38 H28 Cu2 N4 O14 -","- C152 H112 Cu8 N16 O56 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","1.54178","CuKα","","0.0452","0.0375","","","0.1018","0.1057","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205662","14.981","0.002","36.371","0.005","10.922","0.002","90","","90","","90","","5951.1","1.6","183","2","183","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C44 H28 Cu2 N4 O12 -","- C44 H28 Cu2 N4 O12 -","- C176 H112 Cu8 N16 O48 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.0491","0.0429","","","0.1238","0.1285","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205878","23.253","0.006","7.6111","0.0019","14.573","0.004","90","","90","","90","","2579.1","1.2","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H5 Cd Cl N8 -","- C8 H5 Cd Cl N8 -","- C32 H20 Cd4 Cl4 N32 -","4","0.25","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0604","0.0538","","","0.1459","0.1493","","","","","","0.994","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7207273","7.62","0.002","20.963","0.006","9.876","0.003","90","","90","","90","","1577.6","0.8","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 H9 Cd Cl N6 O -","- C6 H8 Cd Cl N6 O -","- C24 H32 Cd4 Cl4 N24 O4 -","4","0.25","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.7107","MoKα","","0.0563","0.0544","","","0.2019","0.2036","","","","","","1.091","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207542","8.3699","0.0014","16.482","0.003","17.686","0.003","90","","90","","90","","2439.8","0.7","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C18 H20 Cd N7 O6 -","- C18 H15 Cd N6 O2 -","- C72 H60 Cd4 N24 O8 -","4","0.25","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.0551","0.0427","","","0.0953","0.1025","","","","","","1.008","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7209301","4.9041","","7.71","","8.344","","90","","90","","90","","315.492","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Eu Ag Cd","","- Ag Cd Eu -","- Ag Cd Eu -","- Ag4 Cd4 Eu4 -","4","0.25","","Hoffmann, R.D.; Fickenscher, T.; Poettgen, R.; Kotzyba, G.","Synthesis, Structure, and Magnetic Properties of EuAgCd and YbAgCd","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","598","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209334","4.67","","7.4","","7.981","","90","","90","","90","","275.807","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Eu Ag Ge","","- Ag Eu Ge -","- Ag Eu Ge -","- Ag4 Eu4 Ge4 -","4","0.25","","Poettgen, R.","Preparation and crystal structure of Eu Ag Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1071","1074","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210557","8.92885","0.00003","7.098858","0.00002","9.2593","0.00003","90","","90","","90","","586.897","0.003","293","","","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H3 Al F5 N3 Zn -","- C2 H3 Al F5 N3 Zn -","- C8 H12 Al4 F20 N12 Zn4 -","4","0.25","","Cadiau, Amandine; Martineau, Charlotte; Leblanc, Marc; Maisonneuve, Vincent; Hémon-Ribaud, Annie; Taulelle, Francis; Adil, Karim","ZnAlF5.[TAZ]: an Al fluorinated MOF of MIL-53(Al) topology with cationic {Zn(1,2,4 triazole)}2+ linkers","Journal of Materials Chemistry","2011","21","11","3949","3951","10.1039/c0jm03559a","powder diffraction","","","CuKα","","","","","","","","","3.1162","1.67","","","","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7211021","36.85","0.02","7.469","0.004","8.756","0.005","90","","90","","90","","2410","2","173","2","173","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C26 H26 Mg N0 O5 S -","- C26 H26 Mg O5 S -","- C104 H104 Mg4 O20 S4 -","4","0.25","","Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A.; Raiff, Aaron M.; Zhou, Hong-Cai","Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains","CrystEngComm","2013","15","45","9688","","10.1039/c3ce41106k","","","0.71073","MoKα","","0.1139","0.0676","","","0.1946","0.2291","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211123","19.2638","0.0011","7.1952","0.0005","9.2847","0.0007","90","","90","","90","","1286.92","0.15","296","","296","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.0865","0.0568","","","0.1106","0.1213","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211125","19.2841","0.0015","7.1837","0.0007","9.2835","0.0009","90","","90","","90","","1286.1","0.2","566","2","566","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","1.54184","CuKα","","0.0642","0.0485","","","0.1108","0.1367","","","","","","1.159","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211126","19.4519","0.0009","7.3237","0.0004","9.326","0.0005","90","","90","","90","","1328.58","0.12","150","2","150.15","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.35 Mn0.65 N O5 -","- C13 H9 Co0.35 Mn0.65 N O5 -","- C52 H36 Co1.4 Mn2.6 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0548","0.0405","","","0.0948","0.103","","","","","","1.055","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211484","19.392","0.012","7.228","0.005","9.387","0.006","90","","90","","90","","1315.7","1.5","273","2","273","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0567","0.052","","","0.1593","0.162","","","","","","1.14","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7214171","19.181","0.004","11.579","0.003","12.642","0.003","90","","90","","90","","2807.7","1.1","293","2","293","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C64 H48 Ag12 Cl12 N32 O48 S8 -","4","0.25","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0676","0.0401","","","0.0929","0.1087","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7215322","7.09","0.02","7.24","0.02","11.96","0.03","90","","90","","90","","614","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H5 Cd Cl2 N3 O -","- C2 H3 Cd Cl2 N3 O -","- C8 H12 Cd4 Cl8 N12 O4 -","4","0.25","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0636","0.0624","","","0.2184","0.2198","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218611","14.8424","0.0019","6.6238","0.0009","11.7467","0.0018","90","","90","","90","","1154.9","0.3","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.4 Fe N4.6 O1.6 -","- C6 H5 Fe N4 O -","- C24 H20 Fe4 N16 O4 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","","","0.71073","MoKα","","0.0774","0.0475","","","0.1077","0.1165","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218612","14.8281","0.0016","6.4872","0.0005","11.3503","0.0012","90","","90","","90","","1091.82","0.19","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C6 H9 Ga N4 O3 -","- C6 Ga N4 O3 -","- C24 Ga4 N16 O12 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","powder diffraction","","1.5418","CuKα","","0.0683","0.0683","","0.0962","0.0962","","","","3.02","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221274","5.6944","","8.0548","","5.6826","","90","","90","","90","","260.645","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","La Ba In Mn O6","","- Ba In La Mn O6 -","- Ba In La Mn O6 -","- Ba2 In2 La2 Mn2 O12 -","2","0.125","","Battle, P.D.; Singleton, J.; Coldea, A.I.; Jordan, N.A.; Rosseinsky, M.J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221275","5.6686","","8.0397","","5.686","","90","","90","","90","","259.133","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(La1.2 Ba0.8) In Mn O6","","- Ba0.8 In La1.2 Mn O6 -","- Ba0.8 In La1.2 Mn O6 -","- Ba1.6 In2 La2.4 Mn2 O12 -","2","0.125","","Battle, P.D.; Coldea, A.I.; Jordan, N.A.; Singleton, J.; Rosseinsky, M.J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221495","11.1432","","7.4382","","11.1896","","90","","90","","90","","927.454","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Rb2 (Pt (C N)4)","","- C4 N4 Pt Rb2 -","- C4 N4 Pt Rb2 -","- C16 N16 Pt4 Rb8 -","4","0.25","","Muehle, C.; Karpov, A.; Jansen, M.","Crystal structure elucidation of anhydrous Rb2 [Pt (C N)4] from x-ray powder diffraction data","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","1269","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222203","7.2076","","10.1135","","7.3775","","90","","90","","90","","537.776","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ca2 (Os2 O7)","","- Ca2 O7 Os2 -","- Ca2 O7 Os2 -","- Ca8 O28 Os8 -","4","0.25","","Reading, J.; Knee, C.S.; Weller, M.T.","Syntheses, structures and properties of some osmates(IV,V) adopting the pyrochlore and weberite structures","Journal of Materials Chemistry","2002","12","","2376","2382","","","","","","","","","","","","","","","","","","","","","","has coordinates","157720","2020-10-21","18:00:00",""
"7223238","27.631","0.0019","29.08","0.003","13.136","0.001","90","","90","","90","","10554.9","1.5","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C208 H120 Gd8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.0866","0.0646","","","0.1841","0.1959","","","","","","0.966","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223239","27.108","0.004","29.418","0.003","12.9723","0.0018","90","","90","","90","","10345","2","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C208 H120 N16 Na8 O84 Sm8 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1598","0.0736","","","0.1671","0.1791","","","","","","1.009","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223240","27.1337","0.0011","29.2422","0.0014","13.0757","0.0007","90","","90","","90","","10374.9","0.9","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C208 H116 Dy8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.06","0.0523","","","0.1465","0.1497","","","","","","1.124","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223241","27.4347","0.0011","28.9058","0.0012","13.1157","0.0007","90","","90","","90","","10401","0.8","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C208 H136 Eu8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1227","0.1036","","","0.2823","0.2903","","","","","","1.098","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223352","19.228","0.005","7.24","0.004","8.874","0.004","90","","90","","90","","1235.4","0.9","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11 H11 Co N O5 -","- C11 H4 Co N O5 -","- C44 H16 Co4 N4 O20 -","4","0.25","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.2033","0.1264","","","0.2807","0.33","","","","","","0.991","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7227326","17.335","0.003","17.748","0.002","19.551","0.003","90","","90","","90","","6015.1","1.5","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water","","- C38 H28 Mn O8 -","- C38 H28 Mn O8 -","- C152 H112 Mn4 O32 -","4","0.25","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.1334","0.0997","","","0.2883","0.3047","","","","","","0.944","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7228816","5.70714","0.00016","8.0548","0.0002","5.74023","0.00018","90","","90","","90","","263.878","0.013","298","","298","","0","","","","","","","4","I m m a","-I 2b 2","74","","Tantalum Lanthanum Dinitride Oxide","","- La N2 O Ta -","- La N2.00001 O0.99999 Ta -","- La4 N8.00004 O3.99996 Ta4 -","4","0.25","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya","Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03714G","powder diffraction","x-ray","1.54056","CuKα~1,2~","","0.025","","","","","","","","","","","","","","","has coordinates","199431","2020-10-21","18:00:00",""
"7230696","19.549","0.0008","10.3084","0.0004","13.7398","0.0005","90","","90","","90","","2768.83","0.19","150","2","150","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.68 Mn Mo6 N6 O2 S2 -","- C6 Br6.0006 Cs0.6742 Mn Mo6 N6 O2 S1.9994 -","- C24 Br24.0024 Cs2.6968 Mn4 Mo24 N24 O8 S7.9976 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0637","0.0383","","","0.1044","0.1123","","","","","","1.052","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230697","19.5758","0.0007","10.4102","0.0004","13.7808","0.0005","90","","90","","90","","2808.36","0.18","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Mn Mo6 N6 O2 -","- C6 Br8 Mn Mo6 N6 O2 -","- C24 Br32 Mn4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0559","0.0551","","","0.1274","0.1276","","","","","","1.367","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230698","19.473","0.004","10.3173","0.0017","13.749","0.003","90","","90","","90","","2762.3","0.9","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Fe Mo6 N6 O2 -","- C6 Br8 Fe Mo6 N6 O2 -","- C24 Br32 Fe4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","x-ray","0.71073","MoKα","","0.1789","0.1526","","","0.4307","0.4529","","","","","","1.116","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230700","19.6163","0.001","10.2909","0.0007","13.8615","0.0008","90","","90","","90","","2798.2","0.3","296","2","296","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.82 Mn Mo6 N6 O2 Se2 -","- C6 Br6 Cs0.8156 Mn Mo6 N6 O2 Se2 -","- C24 Br24 Cs3.2624 Mn4 Mo24 N24 O8 Se8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0498","0.03","","","0.0648","0.0702","","","","","","1.015","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7231206","25.1697","0.0004","7.1655","0.0001","16.6823","0.0002","90","","90","","90","","3008.71","0.07","296","1","296","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C27 H19 Co N O5.5 -","- C27 H19 Co N O5.5 -","- C108 H76 Co4 N4 O22 -","4","0.25","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0591","0.0535","","","0.1631","0.1712","","","","","","1.07","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7232183","17.4254","0.0009","7.2516","0.0003","13.3713","0.0006","90","","90","","90","","1689.62","0.14","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","MIL53(In)_Br","","","- C8 Br In O5 -","- C8 Br1.04 In O5 -","- C32 Br4.16 In4 O20 -","4","0.25","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0486","0.0435","","","0.1183","0.1235","","","","","","1.058","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232184","18.629","0.0009","7.3019","0.0004","11.4527","0.0006","90","","90","","90","","1557.88","0.14","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","MIL53(In)_NO2","","","- C8 In N O9 -","- C8 In N O9 -","- C32 In4 N4 O36 -","4","0.25","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0444","0.0382","","","0.1493","0.1566","","","","","","1.042","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7234582","23.94","0.02","7.191","0.005","7.399","0.006","90","","90","","90","","1273.8","1.7","333","2","333","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C5 H16 Cl4 Mn N2 -","- C5 H18 Cl4 Mn N2 -","- C20 H72 Cl16 Mn4 N8 -","4","0.25","","Xing-Hui Lv; Wei-Qiang Liao; Peng-Fei Li; Zhong-Xia Wang; Chen-Yu Mao; Yi Zhang","Dielectric and photoluminescence properties of a layered perovskite-type organic-inorganic hybrid phase transition compound: NH3(CH2)5NH3MnCl4","Journal of Materials Chemistry C","2016","4","","1881","1885","10.1039/C5TC04114G","","","0.71073","MoKα","","0.0312","0.0295","","","0.08","0.0814","","","","","","1.007","","","","has coordinates","219330","2020-10-21","18:00:00",""
"7235748","30.947","0.008","11.625","0.003","13.967","0.004","90","","90","","90","","5025","2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C22 H8 N O4 Zn -","- C22 H3 N O4 Zn -","- C176 H24 N8 O32 Zn8 -","8","0.5","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.0727","0.0639","","","0.1667","0.1724","","","","","","1.069","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235749","31.02","0.05","11.74","0.02","13.91","0.03","90","","90","","90","","5066","16","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C22 H13 Co N O4 -","- C22 H3 Co N O4 -","- C176 H24 Co8 N8 O32 -","8","0.5","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.1058","0.1007","","","0.2528","0.2572","","","","","","1.062","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235762","6.8","0.0024","31.727","0.01","18.356","0.0033","90","","90","","90","","3960","2","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-(Ni(ii))","","- C16 H8 N4 Ni -","- C20 H12 N4 Ni -","- C80 H48 N16 Ni4 -","4","0.25","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233302","2020-10-21","18:00:00",""
"7237196","15.2262","0.0005","36.4417","0.0013","10.3313","0.0005","90","","90","","90","","5732.5","0.4","150","","150","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C19 H14 Cu N2 O7 -","- C19 H14 Cu N2 O7 -","- C152 H112 Cu8 N16 O56 -","8","0.5","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","","1.54178","CuKα","","0.0479","0.0412","","","0.1189","0.1241","","","","","","1.079","","","","has coordinates","237474","2020-10-21","18:00:00",""
"7240021","14.1317","0.0014","5.8342","0.0006","14.5513","0.0014","90","","90","","90","","1199.7","0.2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H26 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Sun, Chen; Yue, Yun-Di; Zhang, Wei-Feng; Sun, Xing-Yu; Du, Yan; Pan, Hong-Mei; Ma, Yue-Yu; He, Yuan-Chun; Li, Meng-Ting; Jing, Zhi-Hong","[DMEDA]PbCl4: a one-dimensional organic lead halide perovskite with efficient yellow emission","CrystEngComm","2020","22","8","1480","1486","10.1039/C9CE01816F","","","0.71073","MoKα","","0.0179","0.0172","","","0.0469","0.0472","","","","","","1.087","","","","has coordinates","257441","2020-10-21","18:00:00",""
"7704303","7.4043","0.0004","15.1012","0.0006","28.6158","0.0014","90","","90","","90","","3199.6","0.3","298","1","298","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pt2 -","- C56 H40 Fe2 N15 Pt2 -","- C112 H80 Fe4 N30 Pt4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0443","0.0348","","","0.0815","0.0874","","","","","","1.06","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704304","7.2795","0.0005","14.9441","0.0013","28.394","0.002","90","","90","","90","","3088.9","0.4","195","","195","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pd2 -","- C56 H39 Fe2 N16 Pd2 -","- C112 H78 Fe4 N32 Pd4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0871","0.0741","","","0.1778","0.1829","","","","","","1.177","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704305","14.6772","0.0011","7.1611","0.0004","28.221","0.002","90","","90","","90","","2966.2","0.3","84.9","1","84.9","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pd2 -","- C55 H39 Fe2 N16 Pd2 -","- C110 H78 Fe4 N32 Pd4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0696","0.0572","","","0.1422","0.1481","","","","","","1.169","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7707384","18.2629","0.0006","7.195","0.0003","12.0467","0.0004","90","","90","","90","","1582.96","0.1","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 In N O5 -","- C8 H6 In N O5 -","- C32 H24 In4 N4 O20 -","4","0.25","","Jiang, Xin; Fan, Ruiqing; Zhou, Xuesong; Zhu, Ke; Sun, Tiancheng; Zheng, Xubin; Xing, Kai; Chen, Wei; Yang, Yulin","Mixed functionalization strategy on indium-organic framework for multiple ion detection and H<sub>2</sub>O<sub>2</sub> turn-on sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7554","7562","10.1039/d1dt00889g","","","0.71073","MoKα","","0.0605","0.0501","","","0.1362","0.1444","","","","","","1.167","","","","has coordinates,has disorder","267152","2021-07-05","17:32:05",""
"7707591","13.8736","0.0009","7.1949","0.0004","12.8934","0.0015","90","","90","","90","","1287.01","0.19","169.9","0.2","169.9","0.2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Fe N10 Pt -","- C8 H6 Fe N10 Pt -","- C32 H24 Fe4 N40 Pt4 -","4","0.25","","Kuzevanova, Iryna S.; Kucheriv, Olesia I.; Hiiuk, Volodymyr M.; Naumova, Dina D.; Shova, Sergiu; Shylin, Sergii I.; Kotsyubynsky, Volodymyr O.; Rotaru, Aurelian; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9250","9258","10.1039/d1dt01544c","","x-ray","0.71073","MoKα","","0.0512","0.0415","","","0.0882","0.0937","","","","","","1.114","","","","has coordinates","268772","2021-09-06","11:14:49",""
"7707592","14.3717","0.0006","7.4268","0.0003","13.1817","0.0013","90","","90","","90","","1406.96","0.16","255","0.1","255","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Fe N10 Pt -","- C8 H6 Fe N10 Pt -","- C32 H24 Fe4 N40 Pt4 -","4","0.25","","Kuzevanova, Iryna S.; Kucheriv, Olesia I.; Hiiuk, Volodymyr M.; Naumova, Dina D.; Shova, Sergiu; Shylin, Sergii I.; Kotsyubynsky, Volodymyr O.; Rotaru, Aurelian; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9250","9258","10.1039/d1dt01544c","","x-ray","0.71073","MoKα","","0.0449","0.0351","","","0.0742","0.0789","","","","","","1.062","","","","has coordinates,has disorder","268772","2021-09-06","11:14:50",""
"7708690","7.1701","0.0009","18.986","0.002","7.3547","0.0008","90","","90","","90","","1001.2","0.2","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C3 H12 Cl4 Mn N2 -","- C3 H12 Cl4 Mn N2 -","- C12 H48 Cl16 Mn4 N8 -","4","0.25","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.54184","CuKα","","0.0666","0.0654","","","0.1586","0.1596","","","","","","1.113","","","","has coordinates,has disorder","270276","2021-11-03","23:58:52",""
"7710938","18.1722","0.0003","13.8167","0.0003","15.4821","0.0003","90","","90","","90","","3887.24","0.13","93","2","93","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C33 H42 Cu2 F12 N8 O P2 -","- C33 H42 Cu2 F12 N8 O P2 -","- C132 H168 Cu8 F48 N32 O4 P8 -","4","0.25","","Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.","Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02180C","","x-ray","0.71073","MoKα","","0.051","0.0491","","","0.1183","0.1191","","","","","","1.095","","","","has coordinates","277177","2022-08-09","22:46:45",""
"8000559","23.605","0.007","9.002","0.002","21.707","0.006","90","","90","","90","","4613","2","425","2","425","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C4 H10 I3 N O2 Pb -","- C4 H10 I3 N O2 Pb -","- C48 H120 I36 N12 O24 Pb12 -","12","0.75","","Xie, Guanying; Wang, Lei; Ju, Dianxing; Yao, Changlin; Wang, Xinyuan; Song, Shuhong; Qu, Yaqian; Li, Huimin; Tao, Xutang","Thermochromism Perovskite (COOH(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>PbI<sub>4</sub> Crystals: Single-Crystal to Single-Crystal Phase Transition and Excitation-Wavelength-Dependent Emission.","The journal of physical chemistry letters","2021","","","214","221","10.1021/acs.jpclett.1c03458","","","1.34139","GaKα","","0.2129","0.1384","","","0.318","0.3585","","","","","","1.2","","","","has coordinates,has disorder","271784","2022-01-04","02:26:25",""
"8102951","4.6459","0.0003","7.6255","0.0005","7.6379","0.0003","90","","90","","90","","270.59","0.03","293","2","295.15","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Eu Ga2 -","- Eu Ga2 -","- Eu4 Ga8 -","4","0.25","","Sichevych, O.; Cardoso-Gil, R.; Grin, Yu.","Refinement of the crystal structure of europium digallide, EuGa~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","261","262","","","","0.56087","AgKα","","","0.017","","","","0.023","","","","","","2.42","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103433","4.431","","7.018","","7.631","","90","","90","","90","","237.299","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Yb Au1.254 Si0.746","","- Au1.254 Si0.746 Yb -","- Au1.254 Si0.746 Yb -","- Au5.016 Si2.984 Yb4 -","4","0.25","","Merlo, F.; Fornasini, M.L.; Pani, M.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8104151","4.397","","7.143","","7.578","","90","","90","","90","","238.008","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Sm Pt Ge","","- Ge Pt Sm -","- Ge Pt Sm -","- Ge4 Pt4 Sm4 -","4","0.25","","Prots', Yu.M.; Stepen'-Damm, Yu.; Pavlyuk, V.V.; Bodak, O.I.; Barakatova, G.M.","Crystal structure of samarium platinum germanide, Sm Pt Ge","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","902","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000261","6.025","","12.095","","8.752","","90","","90","","90","","637.779","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","Mn2GeO4-beta","","","- Ge Mn2 O4 -","- Ge Mn2 O4 -","- Ge8 Mn16 O32 -","8","0.5","","Morimoto, N.; Tokonami, M.; Koto, K.; Nakajima, S.","Crystal structures of the high pressure polymorphs of Mn2GeO4","American Mineralogist","1972","57","","62","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000393","5.753","","11.524","","8.34","","90","","90","","90","","552.922","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","Co-Olivine","","","- Co2 O4 Si -","- Co2 O4 Si -","- Co16 O32 Si8 -","8","0.5","","Morimoto, N.; Tokonami, M.; Watanabe, M.; Koto, K.","Crystal structures of three polymorphs of Co2SiO4 wadsleyite","American Mineralogist","1974","59","","475","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000817","5.6983","","11.438","","8.2566","","90","","90","","90","","538.142","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Horiuchi, H.; Sawamoto, H.","Beta-Mg2SiO4: Single-crystal X-ray diffraction study case 1","American Mineralogist","1981","66","","568","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000818","5.6983","","11.438","","8.2566","","90","","90","","90","","538.142","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Horiuchi, H.; Sawamoto, H.","Beta-Mg2SiO4: Single-crystal X-ray diffraction study case 2","American Mineralogist","1981","66","","568","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001254","10.815","","13.273","","6.818","","90","","90","","90","","978.707","","","","","","","","","","","","","8","I m m a","-I 2b 2","74","","","Sverigeite","- Be2 H Mg0.63 Mn1.37 Na O13 Si3 Sn -","- Be2 H Mg0.63 Mn1.37 Na O13 Si3 Sn -","- Be8 H4 Mg2.52 Mn5.48 Na4 O52 Si12 Sn4 -","4","0.25","","Rouse, R. C.; Peacor, D. R.; Metz, G. W.","Sverigeite, a structure containing planar NaO4 groups and chains of 3- and 4-membered beryllosilicate rings","American Mineralogist","1989","74","","1343","1350","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001273","20.236","","23.798","","12.798","","90","","90","","90","","6163.21","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al0.76 H10 O12.247 Si3.24 -","- Al0.76 H11.42 O13.71 Si3.24 -","- Al18.24 H274.08 O329.04 Si77.76 -","24","1.5","","Pluth, J. J.; Smith, J. V.","Crystal structure of boggsite, a new high-silica zeolite with the first three-dimensional channel system bounded by both 12- and 10-rings","American Mineralogist","1990","75","","501","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:14",""
"9001919","5.8559","","11.8936","","8.3684","","90","","90","","90","","582.84","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.45 O4 Si0.55 -","- Fe2.45 O4 Si0.55 -","- Fe19.6 O32 Si4.4 -","8","0.5","","Woodland, A. B.; Angel, R. J.","Crystal structure of a new spinelloid with the wadsleyite structure in the system Fe2SiO4-Fe3O4 and implications for the Earth's mantle Fe2.45Si.55O4","American Mineralogist","1998","83","","404","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002355","5.6978","","11.462","","8.2571","","90","","90","","90","","539.256","","","","","","","","0","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 0.00 GPa, X = .00","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002356","5.6731","","11.4114","","8.2067","","90","","90","","90","","531.285","","","","","","","","2720000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 2.72 GPa, X = .00","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002357","5.6515","","11.3688","","8.163","","90","","90","","90","","524.479","","","","","","","","5230000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 5.23 GPa, X = .00","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002358","5.639","","11.3432","","8.1389","","90","","90","","90","","520.599","","","","","","","","6800000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 6.80 GPa, X = .00","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002359","5.6261","","11.3158","","8.1132","","90","","90","","90","","516.517","","","","","","","","8490000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 8.49 GPa, X = .00","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002360","5.6137","","11.2918","","8.0895","","90","","90","","90","","512.784","","","","","","","","10120000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 10.12 GPa, X = .00","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002361","5.7194","","11.5114","","8.3021","","90","","90","","90","","546.596","","","","","","","","0","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = .00 GPa, X = .25","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002362","5.6951","","11.4628","","8.2515","","90","","90","","90","","538.673","","","","","","","","2720000","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 2.72 GPa, X = .25","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002363","5.6737","","11.4201","","8.2082","","90","","90","","90","","531.844","","","","","","","","5230000","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 5.23 GPa, X = .25","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002364","5.6605","","11.394","","8.1828","","90","","90","","90","","527.756","","","","","","","","6800000","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 6.80 GPa, X = .25","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002365","5.6485","","11.3707","","8.1594","","90","","90","","90","","524.057","","","","","","","","8490000","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 8.49 GPa, X = .25","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002366","5.6365","","11.3464","","8.1358","","90","","90","","90","","520.317","","","","","","","","10120000","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.712 Mg3.288 O8 Si2 -","- Fe0.712 Mg3.288 O8 Si2 -","- Fe2.848 Mg13.152 O32 Si8 -","4","0.25","","Hazen, R. M.; Weinberger, M. B.; Yang, H.; Prewitt, C. T.","Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = 10.12 GPa, X = .25","American Mineralogist","2000","85","","770","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002367","5.849","","11.8557","","8.3772","","90","","90","","90","","580.908","","","","","","","","0","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.33 O4 Si0.67 -","- Fe2.33 O4 Si0.67 -","- Fe18.64 O32 Si5.36 -","8","0.5","","Hazen, R. M.; Yang, H.; Prewitt, C. T.","High-pressure crystal chemistry of Fe3±wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 0.00 GPa","American Mineralogist","2000","85","","778","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002368","5.8286","","11.8205","","8.3481","","90","","90","","90","","575.159","","","","","","","","1950000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.33 O4 Si0.67 -","- Fe2.33 O4 Si0.67 -","- Fe18.64 O32 Si5.36 -","8","0.5","","Hazen, R. M.; Yang, H.; Prewitt, C. T.","High-pressure crystal chemistry of Fe3±wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 1.95 GPa","American Mineralogist","2000","85","","778","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002369","5.8076","","11.7804","","8.3147","","90","","90","","90","","568.857","","","","","","","","3800000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.33 O4 Si0.67 -","- Fe2.33 O4 Si0.67 -","- Fe18.64 O32 Si5.36 -","8","0.5","","Hazen, R. M.; Yang, H.; Prewitt, C. T.","High-pressure crystal chemistry of Fe3±wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 3.80 GPa","American Mineralogist","2000","85","","778","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002370","5.7889","","11.7496","","8.2898","","90","","90","","90","","563.849","","","","","","","","5450000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.33 O4 Si0.67 -","- Fe2.33 O4 Si0.67 -","- Fe18.64 O32 Si5.36 -","8","0.5","","Hazen, R. M.; Yang, H.; Prewitt, C. T.","High-pressure crystal chemistry of Fe3±wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 5.45 GPa","American Mineralogist","2000","85","","778","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002371","5.7721","","11.7214","","8.2658","","90","","90","","90","","559.24","","","","","","","","7350000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.33 O4 Si0.67 -","- Fe2.33 O4 Si0.67 -","- Fe18.64 O32 Si5.36 -","8","0.5","","Hazen, R. M.; Yang, H.; Prewitt, C. T.","High-pressure crystal chemistry of Fe3±wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 7.35 GPa","American Mineralogist","2000","85","","778","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002372","5.7557","","11.6949","","8.2433","","90","","90","","90","","554.876","","","","","","","","8950000","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe2.33 O4 Si0.67 -","- Fe2.33 O4 Si0.67 -","- Fe18.64 O32 Si5.36 -","8","0.5","","Hazen, R. M.; Yang, H.; Prewitt, C. T.","High-pressure crystal chemistry of Fe3±wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 8.95 GPa","American Mineralogist","2000","85","","778","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9003489","20.291","","23.84","","12.807","","90","","90","","90","","6195.23","","","","298.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al2.42 H8.448 O30.36 Si9.58 -","- Al2.42 H12.72 O30.36 Si9.58 -","- Al19.36 H101.76 O242.88 Si76.64 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Wat represents an unknown distribution across the Wat sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-RT, T = 25 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003490","20.299","","23.746","","12.814","","90","","90","","90","","6176.6","","","","423.15","","","","","","","","","5","I m m a","-I 2b 2","74","","","Boggsite","- Al2.1 Ca0.67 H4.78 O25.31 Si9.9 -","- Al2.1 Ca0.67 H2.62 O25.31 Si9.9 -","- Al16.8 Ca5.36 H20.96 O202.48 Si79.2 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150, T = 150 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003491","20.053","","23.838","","12.85","","90","","90","","90","","6142.6","","","","623.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al2.12 Ca0.971 O24 Si9.88 -","- Al2.12 Ca0.971 O24 Si9.88 -","- Al16.96 Ca7.768 O192 Si79.04 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-350, T = 350 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003492","20.041","","23.814","","12.869","","90","","90","","90","","6141.81","","","","773.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al0.357 Ca0.16 O4 Si1.643 -","- Al0.356667 Ca0.160167 O4 Si1.64333 -","- Al17.12 Ca7.688 O192 Si78.88 -","48","3","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-500, T = 500 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003493","20.087","","23.8","","12.805","","90","","90","","90","","6121.69","","","","423.15","","","","","","","","","5","I m m a","-I 2b 2","74","","","Boggsite","- Al2.14 Ca0.675 H4.78 O25.44 Si9.86 -","- Al2.14 Ca0.675 H2.88 O25.44 Si9.86 -","- Al17.12 Ca5.4 H23.04 O203.52 Si78.88 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150-R, T = 150 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003494","20.295","","23.843","","12.802","","90","","90","","90","","6194.81","","","","298.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al2.46 H8.448 O29.182 Si9.54 -","- Al2.46 H10.364 O29.182 Si9.54 -","- Al19.68 H82.912 O233.456 Si76.32 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-RT-R, T = 25 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003570","5.6998","","11.4383","","8.2573","","90","","90","","90","","538.343","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Jacobsen, S. D.; Demouchy, S.; Frost, D. J.; Ballaran, T. B.; Kung, J.","A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~150 wt ppm H2O","American Mineralogist","2005","90","","61","70","10.2138/am.2005.1624","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003571","5.6941","","11.4597","","8.2556","","90","","90","","90","","538.7","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Jacobsen, S. D.; Demouchy, S.; Frost, D. J.; Ballaran, T. B.; Kung, J.","A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~3200 wt ppm H2O","American Mineralogist","2005","90","","61","70","10.2138/am.2005.1624","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003572","5.689","","11.483","","8.2527","","90","","90","","90","","539.122","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Jacobsen, S. D.; Demouchy, S.; Frost, D. J.; Ballaran, T. B.; Kung, J.","A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~9600 wt ppm H2O","American Mineralogist","2005","90","","61","70","10.2138/am.2005.1624","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004792","8.1538","","10.5569","","13.9882","","90","","90","","90","","1204.09","","","","","","","","","","","","Khibina Massif, Kola Peninsula, Russia","11","I m m a","-I 2b 2","74","","","Shcherbakovite","- Ba0.23 Ca0.02 Fe0.08 H0.48 K1.66 Na1.07 Nb0.48 O14 Si4 Ti1.4 Zr0.04 -","- Ba0.23 Ca0.02 Fe0.08 H0.48 K1.66 Na1.07 Nb0.48 O14 Si4 Ti1.4 Zr0.04 -","- Ba0.92 Ca0.08 Fe0.32 H1.92 K6.64 Na4.28 Nb1.92 O56 Si16 Ti5.6 Zr0.16 -","4","0.25","","Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Liferovich, R. P.; Mitchell, R. H.","The crystal chemistry of shcherbakovite from the Khibina Massif, Kola Peninsula, Russia Locality: Khibina Massif, Kola Peninsula, Russia","The Canadian Mineralogist","2003","41","","1193","1201","10.2113/gscanmin.41.5.1193","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005367","5.85928","","17.9801","","8.38395","","90","","90","","90","","883.253","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.57 O4 Si0.43 -","- Fe2.57 O4 Si0.43 -","- Fe30.84 O48 Si5.16 -","12","0.75","","Angel, R. J.; Woodland, A. B.","Crystal structure of spinelloid II in the system Fe3O4-Fe2SiO4","European Journal of Mineralogy","1998","10","","607","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005907","5.7107","","11.4675","","8.2778","","90","","90","","90","","542.092","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe1.6 Mg14.4 O32 Si8 -","8","0.5","","Sawamoto, H.; Horiuchi, H.","Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation distribution, and properties of coordination polyhedra","Physics and Chemistry of Minerals","1990","17","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006152","5.6921","","11.46","","8.253","","90","","90","","90","","538.355","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe00","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006153","5.7037","","11.4529","","8.2679","","90","","90","","90","","540.092","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.16 Mg1.85 O4 Si -","- Fe0.16 Mg1.85 O4 Si -","- Fe1.28 Mg14.8 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe08","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006154","5.7119","","11.4681","","8.2799","","90","","90","","90","","542.372","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.32 Mg1.68 O4 Si -","- Fe0.32 Mg1.68 O4 Si -","- Fe2.56 Mg13.44 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe16","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006155","5.717","","11.506","","8.299","","90","","90","","90","","545.907","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe25","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006156","5.739","","11.515","","8.316","","90","","90","","90","","549.559","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.799 Mg1.201 O4 Si -","- Fe0.7995 Mg1.2005 O4 Si -","- Fe6.396 Mg9.604 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe40","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006389","5.663","","11.546","","8.247","","90","","90","","90","","539.23","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Wadsleyite","- H Mg3.47 O8 Si2 -","- H Mg3.47 O8 Si2 -","- H4 Mg13.88 O32 Si8 -","4","0.25","","Kudoh, Y.; Inoue, T.; Arashi, H.","Structure and crystal chemistry of hydrous wadsleyite, Mg1.75SiH0.5O4: possible hydrous magnesium silicate in the mantle transition zone","Physics and Chemistry of Minerals","1996","23","","461","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006821","5.8236","","11.8162","","8.3304","","90","","90","","90","","573.238","","","","","","","","","","quenched from T = 1350 C","","Synthetic","4","I m m a","-I 2b 2","74","","","","- Ga Ge0.5 Mg1.5 O4 -","- Ga Ge0.5 Mg1.5 O4 -","- Ga8 Ge4 Mg12 O32 -","8","0.5","","Millard, R. L.; Peterson, R. C.; Swainson, I. P.","Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine Sample: RLM812, beta-Mg3Ga2GeO8 spinelloid, quenched from T = 1350 C","Physics and Chemistry of Minerals","2000","27","","179","193","10.1007/s002690050006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007329","5.6884","","28.9238","","8.2382","","90","","90","","90","","1355.43","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite II","- Fe0.08 Mg9.636 O14 Si2.173 -","- Fe0.08 Mg9.636 O14 Si2.173 -","- Fe0.32 Mg38.544 O56 Si8.692 -","4","0.25","","Smyth, J. R.; Holl, C. M.; Langenhorst, F.; Laustsen, H. M. S.; Rossman, G. R.; Kleppe, A.; McCammon, C. A.; Kawamoto, T.; van Aken, P. A.","Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 1 Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4","Physics and Chemistry of Minerals","2005","31","","691","705","10.1007/s00269-004-0431-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007330","5.6896","","29.104","","8.243","","90","","90","","90","","1364.96","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite II","- Fe0.338 Mg9.292 O14 Si2.134 -","- Fe0.338 Mg9.292 O14 Si2.134 -","- Fe1.352 Mg37.168 O56 Si8.536 -","4","0.25","","Smyth, J. R.; Holl, C. M.; Langenhorst, F.; Laustsen, H. M. S.; Rossman, G. R.; Kleppe, A.; McCammon, C. A.; Kawamoto, T.; van Aken, P. A.","Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 2 Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4","Physics and Chemistry of Minerals","2005","31","","691","705","10.1007/s00269-004-0431-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009595","7.06","","10","","7.303","","90","","90","","90","","515.592","","","","","","","","","","","","Ivigtut, Greenland","4","I m m a","-I 2b 2","74","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.25","","Giuseppetti, G.; Tadini, C.","Re-examination of the crystal structure of weberite","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","57","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010412","5.6862","","11.5023","","8.2526","","90","","90.013","","90","","539.756","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Wadsleyite","- H2 Mg1.89 O4.092 Si -","- H0.1832 Mg1.89 O4.0916 Si -","- H1.4656 Mg15.12 O32.7328 Si8 -","8","0.5","","Holl, C. M.; Smyth, J. R.; Jacobsen, S. D.; Frost, D. J.","Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4) Locality: synthetic Sample: SS0402, 1.18 wt% H2O","American Mineralogist","2008","93","","598","607","10.2138/am.2008.2620","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010413","5.6951","","11.4628","","8.2565","","90","","90.001","","90","","538.999","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Wadsleyite","- H2 Mg1.961 O4.03 Si -","- H0.0592 Mg1.9614 O4.0296 Si -","- H0.4736 Mg15.6912 O32.2368 Si8 -","8","0.5","","Holl, C. M.; Smyth, J. R.; Jacobsen, S. D.; Frost, D. J.","Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4) Locality: synthetic Sample: SS0403, 0.38 wt% H2O","American Mineralogist","2008","93","","598","607","10.2138/am.2008.2620","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010414","5.7008","","11.4407","","8.2582","","90","","90","","90","","538.609","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Holl, C. M.; Smyth, J. R.; Jacobsen, S. D.; Frost, D. J.","Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4) Sample: WS3056, 0.005 wt% H2O","American Mineralogist","2008","93","","598","607","10.2138/am.2008.2620","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011656","4.737","","4.502","","2.55","","90","","90","","90","","54.381","","","","","","","","","","","","Synthetic","1","I m m a","-I 2b 2","74","Silicon","","Silicon","- Si -","- Si4 -","- Si4 -","","","","McMahon, M. I.; Nelmes, R. J.","New high-pressure phase of Si Sample: structure exists between 13 GPa to 18 GPa Note: intermediate structure between those of Si II and Si V","Physical Review B","1993","47","","8337","8340","10.1103/PhysRevB.47.8337","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011726","5.62","","5.72","","3.05","","90","","90","","90","","98.047","","","","","","","","31300000","","","","Synthetic","1","I m m a","-I 2b 2","74","Strontium-III","","Strontium-III","- Sr -","- Sr4 -","- Sr4 -","","","","Winzenick, M.; Holzapfel, W. B.","Structural study on the high-pressure phase strontium III Sample: at P = 31.3 GPa","Physical Review B - Condensed Matter","1996","53","","2151","2154","10.1103/PhysRevB.53.2151","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012177","7.051","","9.968","","7.285","","90","","90","","90","","512.022","","","","","","","","","","","","Ivigtut, Greenland","4","I m m a","","","","","Weberite","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","- Al4 F28 Mg4 Na8 -","","","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: Imma refinement, T = ambient","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:28:21",""
"9012178","7.05","","9.979","","7.297","","90","","90","","90","","513.358","","","","133","","","","","","","","Ivigtut, Greenland","4","I m m a","","","","","Weberite","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","- Al4 F28 Mg4 Na8 -","","","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: Imma refinement, T = 133 K","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:28:24",""
"9014242","20.326","","23.883","","12.836","","90","","90","","90","","6231.18","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Boggsite","- Ca3.64 O67.52 Si24 -","- Ca3.64 O68.34 Si24 -","- Ca14.56 O273.36 Si96 -","4","0.25","","Arletti, R.; Quartieri, S.; Vezzalini, G.","Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa on release of pressure Note: assignment of site chemistry does not match chemical analysis","American Mineralogist","2010","95","","1247","1256","10.2138/am.2010.3482","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9014410","19.949","","23.445","","12.607","","90","","90","","90","","5896.35","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Boggsite","- Ca3.4 O70.76 Si24 -","- Ca3.4 O72.79 Si24 -","- Ca13.6 O291.16 Si96 -","4","0.25","","Arletti, R.; Quartieri, S.; Vezzalini, G.","Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 3.6 GPa Note: assignment of site chemistry does not match chemical analysis","American Mineralogist","2010","95","","1247","1256","10.2138/am.2010.3482","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9014450","5.8448","","17.9749","","8.3771","","90","","90","","90","","880.096","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.38 Mg0.17 O4 Si0.45 -","- Fe28.5584 Mg2.042 O48 Si5.3996 -","- Fe28.5584 Mg2.042 O48 Si5.3996 -","","","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014501","5.7391","","11.5134","","8.335","","90","","90","","90","","550.748","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014503","6.759","","5.585","","10.425","","90","","90","","90","","393.533","","","","","","","","","","","","Terlano, Bolzano, Italy","5","I m m a","-I 2b 2","74","","","Dawsonite","- C H2 Al Na O5 -","- C4 H8 Al4 Na4 O20 -","- C4 H8 Al4 Na4 O20 -","","","","Corazza, E.; Sabelli, C.; Vannucci, S.","Dawsonite: new mineralogical data and structure refinement","Neues Jahrbuch fur Mineralogie, Monatshefte","1977","1977","","381","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014828","5.8319","","11.8873","","8.3522","","90","","90","","90","","579.021","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.16 Mg0.31 O4 Si0.53 -","- Fe17.2792 Mg2.4808 O32 Si4.24 -","- Fe17.2792 Mg2.4808 O32 Si4.24 -","","","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015274","5.7321","","11.4998","","8.3163","","90","","90","","90","","548.194","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015816","8.0884","","10.497","","13.9372","","90","","90","","90","","1183.32","","","","","","","","","","","","Liley, Eifel Mountains, Germany","13","I m m a","-I 2b 2","74","","","Noonkanbahite","- Al0.02 Ba0.85 Ca0.15 Fe0.26 K0.72 Mg0.08 Mn0.04 Na1.26 Nb0.16 O14 Si4 Ti1.24 Zr0.02 -","- Al0.02 Ba0.85 Ca0.15 Fe0.26 K0.72 Mg0.08 Mn0.04 Na1.26 Nb0.16 O14 Si4 Ti1.24 Zr0.02 -","- Al0.08 Ba3.4 Ca0.6 Fe1.04 K2.88 Mg0.32 Mn0.16 Na5.04 Nb0.64 O56 Si16 Ti4.96 Zr0.08 -","4","0.25","","Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Liferovich, R. P.; Mitchell, R. H.; Pekov, I. V.; Zadov, A. E.","Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and crystal structure","Mineralogical Magazine","2010","74","","441","450","10.1180/minmag.2010.074.3.441","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015858","5.7016","","11.4427","","8.2491","","90","","90","","90","","538.185","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016068","20.082","","23.613","","12.709","","90","","90","","90","","6026.56","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Boggsite","- Ca3.46 O69.98 Si24 -","- Ca3.46 O72.21 Si24 -","- Ca13.84 O288.84 Si96 -","4","0.25","","Arletti, R.; Quartieri, S.; Vezzalini, G.","Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 2.5 GPa Note: assignment of site chemistry does not match chemical analysis","American Mineralogist","2010","95","","1247","1256","10.2138/am.2010.3482","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9016266","20.3266","","23.876","","12.8252","","90","","90","","90","","6224.3","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Boggsite","- Ca3.48 O67.73 Si24 -","- Ca3.48 O69.25 Si24 -","- Ca13.92 O277 Si96 -","4","0.25","","Arletti, R.; Quartieri, S.; Vezzalini, G.","Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa Note: assignment of site chemistry does not match chemical analysis","American Mineralogist","2010","95","","1247","1256","10.2138/am.2010.3482","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9016598","5.7214","","11.4789","","8.2924","","90","","90","","90","","544.607","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 728 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016602","5.8506","","17.9793","","8.3779","","90","","90","","90","","881.269","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.48 Mg0.09 O4 Si0.43 -","- Fe29.764 Mg1.0764 O48 Si5.1596 -","- Fe29.764 Mg1.0764 O48 Si5.1596 -","","","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8b1195, Spinelloid-II","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017256","26.188","","7.36","","10.367","","90","","90","","90","","1998.17","","","","","","","","","","","","White Elephant mine, Pringle, South Dakota, USA","6","I m m a","-I 2b 2","74","","","Walentaite","- As2.86 Ca0.708 Fe3 Mn0.652 O19.928 P1.684 -","- As2.86 Ca0.708 Fe3 Mn0.652 O19.928 P1.684 -","- As11.44 Ca2.832 Fe12 Mn2.608 O79.712 P6.736 -","4","0.25","","Grey, I. E.; Mumme, W. G.; Hochleitner, R.","Trimeric As3+3O6 clusters in walentaite: crystal structure and revised formula","European Journal of Mineralogy","2019","31","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017718","24.038","","7.444","","10.387","","90","","90","","90","","1858.64","","","","","","","","","","","","Alcantarilla mine, Cordoba, Andalusia, Spain","7","I m m a","-I 2b 2","74","","","Alcantarillaite","- As3.44 Ca0.68 Fe3.066 H8.352 O19.356 P0.48 W0.448 -","- As3.44 Ca0.68 Fe3.066 H8.352 O19.356 P0.48 W0.448 -","- As13.76 Ca2.72 Fe12.264 H33.408 O77.424 P1.92 W1.792 -","4","0.25","","Grey, I. E.; Hochleitner, R.; Rewitzer, C.; Riboldi-Tunnicliffe A; Kampf, A. R.; MacRae, C. M.; Mumme, W. G.; Kaliwoda, M.; Friis, H.; Martin, C. U.","The walentaite group and the description of a new member, alcantarillaite, from the Alcantarilla mine, Belalcazar, Cordoba, Andalusia, Spain","Mineralogical Magazine","2020","84","","412","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017893","25.77","","7.325","","10.522","","90","","90","","90","","1986.19","","","","100","","","","","","","","Griffins Find gold deposit, Western Australia","7","I m m a","-I 2b 2","74","","","Natrowalentalte","- As1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664 -","- As1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664 -","- As7.072 Fe10.744 H43.2 Na5.92 O81.44 P8 W2.656 -","4","0.25","","Grey, I. E.; Mumme, G.; Kampf, A. R.; MacRae, C. M.; Wilson, N. C.","Natrowalentaite, a new mineral from the Griffins Find gold deposit, Western Australia Note: T = 100 K","Australian Journal of Mineralogy","2019","20","","7","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""