# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T16:31:25+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m -3' 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
"1000189","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Hydrogen niobium oxide","","- H Nb O3 -","- H0.25 Nb O3 -","- H2 Nb8 O24 -","8","0.166667","","Fourquet, J E; Renou, M F; de, Pape R; Theveneau, H; Man, P P; Lucas, O; Pannetier, J","H Nb O~3~, structure and NMR study","Solid State Ionics","1983","9","","1011","1013","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000190","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Hydrogen niobium oxide","","- H Nb O3 -","- H1.0002 Nb O3 -","- H8.0016 Nb8 O24 -","8","0.166667","","Fourquet, J L; Renou, M F; De, Pape R; Theveneau, H; Man, P P; Lucs, O; Pannetier, J","H Nb O~3~, structure and NMR study","Solid State Ionics","1983","9","","1011","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000279","7.5875","0.0002","7.5875","0.0002","7.5875","0.0002","90","","90","","90","","436.8","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Hydrogen niobium tungsten oxide (.6/.6/.4/3)","","- H0.6 Nb0.6 O3 W0.4 -","- H0.15 Nb0.6 O3 W0.4 -","- H1.2 Nb4.8 O24 W3.2 -","8","0.166667","","Fourquet, J L; Gillet, P A; Le, Bail A","Li/H topotactic exchange on beta-Li(1-x) Nb(1-x) Wx O3 (O <= x <= 0.5): the series H(1-x)Nb(1-x)WxO3","Materials Research Bulletin","1988","23","","1253","1260","10.1016/0025-5408(88)90113-4","","","","","","0.0369","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000401","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Niobic acid","","- H Nb O3 -","- H1.02 Nb O3 -","- H8.16 Nb8 O24 -","8","0.166667","","Fourquet, J-L; Renou, M-F; De Pape, R","La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide","Revue de Chimie Minerale","1984","21","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001354","7.4314","0.0003","7.4314","0.0003","7.4314","0.0003","90","","90","","90","","410.4","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","Lithium copper titanium niobium oxide (1.33/2.67/2.67/1.33/12)","","- Cu2.67 Li1.33 Nb1.33 O12 Ti2.67 -","- Cu2.67 Li1.29 Nb1.32 O12 Ti2.68 -","- Cu5.34 Li2.58 Nb2.64 O24 Ti5.36 -","2","0.0416667","","Mouron, P; Choisnet, J","New substituted copper titanates with the Ca Cu~3~ Ti~4~ O~12~ structure: Li (Cu~3-x~ Li~x~) (Ti~3-x~ M~1+x~) O~12~ (M(V)=Nb: 12<x<.33; M(V)=Ta: x=.33)","Journal of Solid State Chemistry","1987","66","","311","317","10.1016/0022-4596(87)90200-3","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008180","7.391","0.001","7.391","0.001","7.391","0.001","90","","90","","90","","403.7","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","CALCIUM TRICOPPER TETRATITANIUM OXIDE","","- Ca Cu3 O12 Ti4 -","- Ca Cu3 O12 Ti4 -","- Ca2 Cu6 O24 Ti8 -","2","0.0416667","","Bochu, B; Deschizeaux, M N; Joubert, J C; Collomb, A; Chenavas, J; Marezio, M","Synthese et caracterisation d'une serie de titanates Perowskites isotypes de (Ca Cu~3~) (Mn~4~) O~12~","Journal of Solid State Chemistry","1979","29","","291","298","10.1016/0022-4596(79)90235-4","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008181","7.383","0.001","7.383","0.001","7.383","0.001","90","","90","","90","","402.4","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","TERBIUM COPPER TITANIUM OXIDE (0.7/3/4/12)","","- Cu3 O12 Tb0.71 Ti4 -","- Cu3 O12 Tb0.71 Ti4 -","- Cu6 O24 Tb1.42 Ti8 -","2","0.0416667","","Bochu, B; Deschizeaux, M N; Joubert, J C; Collomb, A; Chenavas, J; Marezio, M","Synthese et caracterisation d'une serie de titanates Perowskites isotypes de (Ca Cu~3~) (Mn~4~) O~12~","Journal of Solid State Chemistry","1979","29","","291","298","10.1016/0022-4596(79)90235-4","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008192","7.359","0.001","7.359","0.001","7.359","0.001","90","","90","","90","","398.5","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Thorium tricopper dimanganese(III) dimanganese(IV) oxide","","- Cu3 Mn4 O12 Th -","- Cu3 Mn4 O12 Th -","- Cu6 Mn8 O24 Th2 -","2","0.0416667","","Deschizeaux, M N; Loubert, J C; Vegas, A; Collomb, A; Chenavas, J; Marezio, M","Synthetis and crystal structure of (Th Cu~3~) ((Mn~2~)^3+^ (Mn~2~)^4+^) O~12~, a new ferrimagnetic Perovskite-like compound","Journal of Solid State Chemistry","1976","19","","45","51","10.1016/0022-4596(76)90148-1","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008219","7.2538","0.0007","7.2538","","7.2538","","90","","90","","90","","381.7","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Yttrium copper manganese oxide (1/3/4/12)","","- Cu3 Mn4 O12 Y -","- Cu3 Mn4 O12 Y -","- Cu6 Mn8 O24 Y2 -","2","0.0416667","","Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C","Synthesis, composition-range and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~","Journal of Magnetism and Magnetic Materials","1983","40","","75","82","10.1016/0304-8853(83)90012-4","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008220","7.275","0.001","7.275","","7.275","","90","","90","","90","","385","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Yttrium copper manganese oxide (1/3/4/12)","","- Cu3 Mn4 O12 Y -","- Cu3 Mn4 O12 Y -","- Cu6 Mn8 O24 Y2 -","2","0.0416667","","Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C","Synthesis, composition-ranqe and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~","Journal of Magnetism and Magnetic Materials","1983","40","","75","82","10.1016/0304-8853(83)90012-4","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008633","7.455","","7.455","","7.455","","90","","90","","90","","414.3","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Neodymium copper ruthenium oxide (1/3/4/12)","","- Cu3 Nd O12 Ru4 -","- Cu3 Nd O12 Ru4 -","- Cu6 Nd2 O24 Ru8 -","2","0.0416667","","Muller, J; Haouzi, A; Laviron, C; Labeau, M; Joubert, J C","Conductivie electrique et caracterisation cristallographique des composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1<x<4) et Nd~(2+x)/3~ Cu~3~ Ru~x~ Ti~4-x~ O~12~ (x<1)","Materials Research Bulletin","1986","21","","1131","1136","10.1016/0025-5408(86)90230-8","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008788","7.436","","7.436","","7.436","","90","","90","","90","","411.2","","","","","","","","","","","","synthetic","5","I m -3","-I 2 2 3","204","","Neodymium tricopper trititanium iron(III) oxide","Perovskite group","- Cu3 Fe Nd O12 Ti3 -","- Cu3 Fe Nd O12 Ti3 -","- Cu6 Fe2 Nd2 O24 Ti6 -","2","0.0416667","","Meyer, G; Gros, Y; Bochu, B; Collomb, A; Chenavas, J; Joubert, J C; Marezio, M","Synthesis, crystal structure, and Moessbauer study of a series of perovskite-like compounds (A Cu3) (M, Fe)4 O12","Physica Status Solidi, Sectio A: Applied Research","1978","48","","581","586","10.1002/pssa.2210480239","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010764","8.18","0.01","8.18","","8.18","","90","","90","","90","","547.3","","","","","","","","","","","","from the Temiskaming Mine, Cobalt, Ontario","5","I m -3","-I 2 2 3","204","","Cobalt nickel iron arsenic sulfide *","Skutterudite","- As22.8 Co9.1 Fe9.1 Ni9.1 S22.8 -","","","1","0.0208333","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011203","8.189","0.002","8.189","0.002","8.189","0.002","90","","90","","90","","549.2","","","","","","","","","","","","from Skutterud, Norway","2","I m -3","-I 2 2 3","204","","Cobalt arsenide (1/3)","Skutterudite","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Oftedal, I","Die Kristallstruktur von Skutterdit und Speiskobalt-Chloanthit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","517","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011231","8.17","","8.17","","8.17","","90","","90","","90","","545.3","","","","","","","","","","","","Skutterud, Norway","2","I m -3","-I 2 2 3","204","","Cobalt arsenide (1/3)","Skutterudite","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Oftedal, I","The crystal structure of skutterudite and related minerals","Norsk Geologisk Tidsskrift","1926","8","","250","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1509572","9.404","","9.404","","9.404","","90","","90","","90","","831.645","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Ag Sb O3","","- Ag1.02667 O3 Sb -","- Ag1.02667 O3 Sb -","- Ag12.32 O36 Sb12 -","12","0.25","","Hong, H.Y.-P.; Kafalas, J.A.; Goodenough, J.B.","Crystal Chemistry in the System M Sb O3","Journal of Solid State Chemistry","1974","9","","345","351","10.1016/0022-4596(74)90093-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514757","27.2496","0.0001","27.2496","0.0001","27.2496","0.0001","90","","90","","90","","20233.9","0.13","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C122 H178 Co6 N14 O46 -","- C72 H40 Co6 O26 -","- C432 H240 Co36 O156 -","6","0.125","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","1.54178","CuKα","","0.1667","0.1274","","","0.322","0.352","","","","","","1.591","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519416","40.048","0.003","40.048","0.003","40.048","0.003","90","","90","","90","","64231","8","296","2","296.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-2","","- C138 H78 O35 Y6 -","- C138 H78 O35 Y6 -","- C1104 H624 O280 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.1233","0.0983","","","0.238","0.2493","","","","","","1.174","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519417","48.111","0.016","48.111","0.016","48.111","0.016","90","","90","","90","","111361","6","284","2","284","2","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-3","","- C162 H78 O32 Y6 -","- C162 H78 O32 Y6 -","- C1296 H624 O256 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.104","0.0779","","","0.2006","0.2196","","","","","","0.871","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1520946","10.89","","10.89","","10.89","","90","","90","","90","","1291.47","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Sm6 C60","","- C60 Sm6 -","- C60 Sm6 -","- C120 Sm12 -","2","0.0416667","","Chen, X.-H.; Liu, Z.S.; Li, S.Y.; Chi, D.Y.; Iwasa, Y.","Structure and properties of a fulleride Sm6 C60","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1999","60","","6183","6186","","","","","","","","","","","","","","","","","","","","","","has coordinates","140531","2020-10-21","18:00:00",""
"1520985","10.97","","10.97","","10.97","","90","","90","","90","","1320.14","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Eu6 C60","","- C60 Eu6 -","- C60 Eu6 -","- C120 Eu12 -","2","0.0416667","","Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P.","Crystal chemistry of europium fullerides","Solid State Communications","1998","106","","431","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","140603","2020-10-21","18:00:00",""
"1521359","9.176","","9.176","","9.176","","90","","90","","90","","772.61","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sr0.935 Fe4 Sb12","","- Fe4 Sb12 Sr0.935 -","- Fe4 Sb12 Sr0.935 -","- Fe8 Sb24 Sr1.87 -","2","0.0416667","","Kaiser, J.W.; Jeitschko, W.","The antimony-rich parts of the ternary systems calcium, strontium, barium and cerium with iron and antimony; structure refinements of the (La Fe4 Sb12)-type compounds Sr Fe4 Sb12 and Ce Fe4 Sb12; the new compounds Ca Os4 Sb12 and Yb Os4 Sb12","Journal of Alloys Compd.","1999","291","","66","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","141568","2020-10-21","18:00:00",""
"1521360","9.126","","9.126","","9.126","","90","","90","","90","","760.049","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ce0.892 Fe4 Sb12 -","- Ce0.892 Fe4 Sb12 -","- Ce1.784 Fe8 Sb24 -","2","0.0416667","","Kaiser, J.W.; Jeitschko, W.","The antimony-rich parts of the ternary systems calcium, strontium, barium and cerium with iron and antimony; structure refinements of the (La Fe4 Sb12)-type compounds Sr Fe4 Sb12 and Ce Fe4 Sb12; the new compounds Ca Os4 Sb12 and Yb Os4 Sb12","Journal of Alloys Compd.","1999","291","","66","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521369","16.83229","","16.83229","","16.83229","","90","","90","","90","","4769.02","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ba6 (V10 O30 (H2 O)) (H2 O)2.5","","- Ba6 H7 O33.5 V10 -","- Ba6.00013 O33.5 V10 -","- Ba36.0008 O201 V60 -","6","0.125","","Kanke, Y.; Oka, Y.; Yao, T.","Hydrothermal synthesis and crystal structure of Ba6 (V10 O30 (H2 O)) . 2.5(H2 O) with an unusual arrangement of V(IV)-O polyhedra","Journal of Solid State Chemistry","2000","151","","130","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521650","7.2228","","7.2228","","7.2228","","90","","90","","90","","376.805","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","U Fe4 P12","","- Fe4 P12 U -","- Fe4 P12 U -","- Fe8 P24 U2 -","2","0.0416667","","Nakotte, H.; Maple, M.B.; Dilley, N.R.; Torikachvili, M.S.; Majkrzak, C.F.; Bordallo, H.N.; Schultz, A.J.; Christianson, A.; Chang, S.; Shirane, G.","Structural and magnetic properties of the Kondo insulator U Fe4 P12","Physik (Berlin)","1999","259","","280","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522324","9.2213","","9.2213","","9.2213","","90","","90","","90","","784.109","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- La0.1 Rh8 Sb24 -","- La0.1 Rh8 Sb24 -","- La0.1 Rh8 Sb24 -","1","0.0208333","","Zeng, L.-M.; Franzen, H.F.","Lanthanum rhodium antimonide, La0.1 Rh8 Sb24","Journal of Alloys Compd.","2000","311","","224","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523942","7.4236","","7.4236","","7.4236","","90","","90","","90","","409.113","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Re O3","","- O3 Re -","- O3 Re -","- O24 Re8 -","8","0.166667","","Jorgensen, J.E.; Batlogg, B.; Jorgensen, J.D.; Axe, J.D.; Remeika, J.P.","Order parameter and critical exponent for the pressure- induced phase transitions in Re O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1986","33","","4793","4798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524040","9.192","","9.192","","9.192","","90","","90","","90","","776.658","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Re Sr0.4 O3","","- O3 Re Sr0.4 -","- O3 Re Sr0.4 -","- O36 Re12 Sr4.8 -","12","0.25","","Baud, G.; Besse, J.P.; Chevalier, R.; Chamberland, B.L.","Structure d'un oxyde double de rhenium a charpente de type K Sb O3 cubique: Srx Re O3 (0.4<x<0.5)","Journal of Solid State Chemistry","1979","28","","157","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524883","13.745","","13.745","","13.745","","90","","90","","90","","2596.77","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","(Cu0.57 Ga0.43)6 Lu","","- Cu3.42 Ga2.58 Lu -","- Cu3.418 Ga2.57867 Lu -","- Cu82.032 Ga61.888 Lu24 -","24","0.5","","Markiv, V.Ya.; Shevchenko, I.P.; Belyavina, N.N.","Phase equilibria and crystalline structure of compounds in the Lu-Cu-Ga system","Izvestiya Akademii Nauk SSSR, Metally","1989","1989","","204","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525448","9.497","","9.497","","9.497","","90","","90","","90","","856.563","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","H Sb O3 (H2 O)","","- H3 O4 Sb -","- O4 Sb -","- O48 Sb12 -","12","0.25","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Un nouveau conducteur protonique (H(H2 O)n)12 Sb12 O36 (n <= 1)","Materials Research Bulletin","1981","16","","1131","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525449","9.47","","9.47","","9.47","","90","","90","","90","","849.278","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","H Sb O3 (H2 O)0.267","","- H1.534 O3.267 Sb -","- O3.26667 Sb -","- O39.2 Sb12 -","12","0.25","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Un nouveau conducteur protonique (H(H2 O)n)12 Sb12 O36 (n <= 1)","Materials Research Bulletin","1981","16","","1131","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525513","7.735","","7.735","","7.735","","90","","90","","90","","462.787","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co4 La P12","","- Co4 La0.2 P12 -","- Co4 La0.2 P12 -","- Co8 La0.4 P24 -","2","0.0416667","","Zemni, S.; Duc Tran Qui; Madar, R.; Chaudouet, P.; Senateur, J.P.","Synthesis and crystal structure of a new series of ternary phosphides in the systems Tr - Co -P (Tr: rare earth)","Journal of Solid State Chemistry","1986","65","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","146506","2020-10-21","18:00:00",""
"1526189","10.949","","10.949","","10.949","","90","","90","","90","","1312.57","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Eu6 C60","","- C60 Eu6 -","- C60 Eu6 -","- C120 Eu12 -","2","0.0416667","","Ootoshi, H.; Fujiwara, A.; Ishii, K.; Matsuoka, Y.; Watanuki, T.; Suematsu, H.","Crystal structure of europium C60 compounds","Molecular Crystals and Liquid Crystals","2000","340","","565","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","147320","2020-10-21","18:00:00",""
"1526476","7.7949","","7.7949","","7.7949","","90","","90","","90","","473.622","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Gd Fe4 P12","","- Fe4 Gd P12 -","- Fe4 Gd0.997 P12 -","- Fe8 Gd1.994 P24 -","2","0.0416667","","Jeitschko, W.; Foecker, A.J.; Kotzyba, G.; Dewalsky, M.V.; Moeller, M.H.; Kuennen, B.; Paschke, D.; Evers, C.B.H.; Lang, A.; Rodewald, U.C.","Crystal structure and properties of some filled and unfilled skutterudites: Gd Fe4 P12, Sm Fe4 P12, Nd Fe4 As12, Eu0.54 Co4 Sb12, Fe0.5 Ni0.5 P3, Co P3 and Ni P3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1112","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526478","9.0941","","9.0941","","9.0941","","90","","90","","90","","752.106","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Eu0.54 Co4 Sb12","","- Co4 Eu0.54 Sb12 -","- Co4 Eu0.54 Sb12 -","- Co8 Eu1.08 Sb24 -","2","0.0416667","","Jeitschko, W.; Foecker, A.J.; Kotzyba, G.; Paschke, D.; Dewalsky, M.V.; Evers, C.B.H.; Kuennen, B.; Lang, A.; Rodewald, U.C.; Moeller, M.H.","Crystal structure and properties of some filled and unfilled skutterudites: Gd Fe4 P12, Sm Fe4 P12, Nd Fe4 As12, Eu0.54 Co4 Sb12, Fe0.5 Ni0.5 P3, Co P3 and Ni P3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1112","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","147671","2020-10-21","18:00:00",""
"1526480","7.7529","","7.7529","","7.7529","","90","","90","","90","","466.007","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Fe0.5 Ni0.5 P3 -","- Fe0.49 Ni0.51 P3 -","- Fe3.92 Ni4.08 P24 -","8","0.166667","","Jeitschko, W.; Foecker, A.J.; Paschke, D.; Dewalsky, M.V.; Moeller, M.H.; Evers, C.B.H.; Kuennen, B.; Rodewald, U.C.; Kotzyba, G.; Lang, A.","Crystal structure and properties of some filled and unfilled skutterudites: Gd Fe4 P12, Sm Fe4 P12, Nd Fe4 As12, Eu0.54 Co4 Sb12, Fe0.5 Ni0.5 P3, Co P3 and Ni P3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1112","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526482","7.7112","","7.7112","","7.7112","","90","","90","","90","","458.528","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Co P3 -","- Co P3 -","- Co8 P24 -","8","0.166667","","Jeitschko, W.; Rodewald, U.C.; Foecker, A.J.; Evers, C.B.H.; Paschke, D.; Dewalsky, M.V.; Moeller, M.H.; Kuennen, B.; Lang, A.; Kotzyba, G.","Crystal structure and properties of some filled and unfilled skutterudites: Gd Fe4 P12, Sm Fe4 P12, Nd Fe4 As12, Eu0.54 Co4 Sb12, Fe0.5 Ni0.5 P3, Co P3 and Ni P3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1112","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526484","7.8157","","7.8157","","7.8157","","90","","90","","90","","477.423","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Ni P3 -","- Ni P3 -","- Ni8 P24 -","8","0.166667","","Jeitschko, W.; Foecker, A.J.; Dewalsky, M.V.; Paschke, D.; Evers, C.B.H.; Moeller, M.H.; Kuennen, B.; Lang, A.; Rodewald, U.C.; Kotzyba, G.","Crystal structure and properties of some filled and unfilled skutterudites: Gd Fe4 P12, Sm Fe4 P12, Nd Fe4 As12, Eu0.54 Co4 Sb12, Fe0.5 Ni0.5 P3, Co P3 and Ni P3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1112","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526596","7.8126","","7.8126","","7.8126","","90","","90","","90","","476.855","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Pr Fe4 P12","","- Fe4 P12 Pr -","- Fe4 P12 Pr -","- Fe8 P24 Pr2 -","2","0.0416667","","Keller, L.; Matsuda, T.D.; Fischer, P.; Herrmannsdoerfer, T.; Sugawara, H.; Aoki, Y.; Abe, K.; Doenni, A.; Sato, H.","Structural and magnetic properties of R Fe4 P12 (R = Pr, Nd) studied by neutron diffraction","Journal of Alloys Compd.","2001","323","","516","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526598","7.8087","","7.8087","","7.8087","","90","","90","","90","","476.142","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Nd Fe4 P12","","- Fe4 Nd P12 -","- Fe4 Nd P12 -","- Fe8 Nd2 P24 -","2","0.0416667","","Keller, L.; Sato, H.; Fischer, P.; Herrmannsdoerfer, T.; Sugawara, H.; Doenni, A.; Abe, K.; Aoki, Y.; Matsuda, T.D.","Structural and magnetic properties of R Fe4 P12 (R = Pr, Nd) studied by neutron diffraction","Journal of Alloys Compd.","2001","323","","516","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526774","9.118","","9.118","","9.118","","90","","90","","90","","758.052","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ba0.61 (Fe1.6 Co2.4) Sb12","","- Ba0.61 Co2.4 Fe1.6 Sb12 -","- Ba0.61 Co2.4 Fe1.6 Sb12 -","- Ba1.22 Co4.8 Fe3.2 Sb24 -","2","0.0416667","","Tang, X.-F.; Hirai, T.; Chen, Li.-D.; Goto, T.; Yuan, R.-Z.","Solid state reaction synthesis and structure of filled skutterudite compounds Bay Fex Co4-x Sb12","Wu Li Hsueh Pao (= Acta Physica Sinica)","2000","49","","2196","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","148017","2020-10-21","18:00:00",""
"1527229","7.241","","7.241","","7.241","","90","","90","","90","","379.661","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu3 Mn4 O12 -","- Ca Cu3 Mn4 O12 -","- Ca2 Cu6 Mn8 O24 -","2","0.0416667","","Chenavas, J.; Marezio, M.; Joubert, J.C.; Bochu, B.","The synthesis and crystal structure of Ca Cu3 Mn4 O12: A new ferromagnetic-Perovskite-like compound","Journal of Solid State Chemistry","1975","14","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527956","7.37","","7.37","","7.37","","90","","90","","90","","400.316","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca0.5 Cu1.5 Ti2 O6","","- Ca0.5 Cu1.5 O6 Ti2 -","- Ca0.5 Cu1.5 O6 Ti2 -","- Ca2 Cu6 O24 Ti8 -","4","0.0833333","","Propach, V.","Kristallstruktur von Ca0.5 Cu1.5 Ti2 O6 , Cu1.5 Ta Ti O6 und Cu Ta2 O6 . Das spektroskopische Verhalten von Cu(2+)-Ionen in kubooktaedrischer Umgebung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","435","","161","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","149778","2020-10-21","18:00:00",""
"1527957","7.43","","7.43","","7.43","","90","","90","","90","","410.172","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Cu1.5 Ta Ti O6","","- Cu1.5 O6 Ta Ti -","- Cu1.5 O6 Ta Ti -","- Cu6 O24 Ta4 Ti4 -","4","0.0833333","","Propach, V.","Kristallstruktur von Ca0.5 Cu1.5 Ti2 O6 , Cu1.5 Ta Ti O6 und Cu Ta2 O6 . Das spektroskopische Verhalten von Cu(2+)-Ionen in kubooktaedrischer Umgebung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","435","","161","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528133","13.568","","13.568","","13.568","","90","","90","","90","","2497.74","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cu6 Ga21 Li13 -","- Cu6 Ga21 Li13 -","- Cu24 Ga84 Li52 -","4","0.0833333","","Tillard-Charbonnel, M.; Belin, C.","Synthesis and crystal structure determination of the new intermetallic phase Li13 Cu6 Ga21","Journal of Solid State Chemistry","1991","90","","270","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528419","11.736","","11.736","","11.736","","90","","90","","90","","1616.44","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Mn (H C O O)3 (C O2)0.75","","- C3.75 H3 Mn O7.5 -","- C3.7525 H3 Mn O7.52 -","- C30.02 H24 Mn8 O60.16 -","8","0.166667","","Cornia, A.; Caneschi, A.; Fabretti, A.C.; Dapporto, P.; Sessoli, R.; Malavasi, W.; Gatteschi, D.; Sangregorio, C.","Mangan(III)-formiat: ein dreidimenionales Netzwerk, das Kohlendioxidmolekuele einschliesst","Angewandte Chemie (German Edition)","1999","111","","1897","1899","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529002","7.562","","7.562","","7.562","","90","","90","","90","","432.424","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","D0.53 W O3","","- D0.53 O3 W -","- D0.528 O3 W -","- D4.224 O24 W8 -","8","0.166667","","Wiseman, P.J.; Dickens, P.G.","The crystal structure of cubic hydrogen tungsten bronze","Journal of Solid State Chemistry","1973","6","","374","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529612","9.5505","","9.5505","","9.5505","","90","","90","","90","","871.121","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","D Sb O3 (D2 O)0.81","","- D2.62 O3.81 Sb -","- D2.618 O3.808 Sb -","- D31.416 O45.696 Sb12 -","12","0.25","","Bell, R.G.; Weller, M.T.","Structure of the proton conductor, cubic H Sb O3 * x(H2 O)","Solid State Ionics","1988","28","","601","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529645","13.454","","13.454","","13.454","","90","","90","","90","","2435.31","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","K7.2 (Ni (N H2)4)3 (C N) (N H2).2","","- C H24.4 K7.2 N13.2 Ni3 -","- C H24 K7.28 N13 Ni3 -","- C4 H96 K29.12 N52 Ni12 -","4","0.0833333","","Bock, J.; Jacobs, H.","Protonenkaefige in Alkalimetallamidoniccolaten - ein neuartiger Typ von Einlagerungsverbindungen","Journal of the Less-Common Metals","1988","137","","105","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529646","13.872","","13.872","","13.872","","90","","90","","90","","2669.42","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","Rb7.3 (Ni (N H2)4)3 (C N) (N H2).3","","- C H24.6 N13.3 Ni3 Rb7.3 -","- C H24 N13 Ni3 Rb7.35 -","- C4 H96 N52 Ni12 Rb29.4 -","4","0.0833333","","Bock, J.; Jacobs, H.","Protonenkaefige in Alkalimetallamidoniccolaten - ein neuartiger Typ von Einlagerungsverbindungen","Journal of the Less-Common Metals","1988","137","","105","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529685","7.7999","","7.7999","","7.7999","","90","","90","","90","","474.534","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Th Fe4 P12","","- Fe4 P12 Th -","- Fe4 P12 Th -","- Fe8 P24 Th2 -","2","0.0416667","","Braun, D.J.; Jeitschko, W.","Thorium-containing pnictides with the La Fe4 P12 structure","Journal of the Less-Common Metals","1980","76","","33","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530087","7.5558","","7.5558","","7.5558","","90","","90","","90","","431.361","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","D.56 (Mo.25 W.75) O3","","- D0.56 Mo0.25 O3 W0.75 -","- D0.558 Mo0.25 O3 W0.75 -","- D4.464 Mo2 O24 W6 -","8","0.166667","","Hibble, S.J.; Dickens, P.G.","The crystal structures of a series of cubic hydrogen insertion compounds of the mixed molybdenum tungsten oxides","Journal of Solid State Chemistry","1986","63","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","155059","2020-10-21","18:00:00",""
"1530088","7.587","","7.587","","7.587","","90","","90","","90","","436.727","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","D.8 (Mo.5 W.5) O3","","- D0.8 Mo0.5 O3 W0.5 -","- D0.798 Mo0.5 O3 W0.5 -","- D6.384 Mo4 O24 W4 -","8","0.166667","","Hibble, S.J.; Dickens, P.G.","The crystal structures of a series of cubic hydrogen insertion compounds of the mixed molybdenum tungsten oxides","Journal of Solid State Chemistry","1986","63","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","155060","2020-10-21","18:00:00",""
"1530089","7.5743","","7.5743","","7.5743","","90","","90","","90","","434.538","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","D.81 (Mo.69 W.31) O3","","- D0.81 Mo0.69 O3 W0.31 -","- D0.81 Mo0.69 O3 W0.31 -","- D6.48 Mo5.52 O24 W2.48 -","8","0.166667","","Hibble, S.J.; Dickens, P.G.","The crystal structures of a series of cubic hydrogen insertion compounds of the mixed molybdenum tungsten oxides","Journal of Solid State Chemistry","1986","63","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","155061","2020-10-21","18:00:00",""
"1530236","7.6937","","7.6937","","7.6937","","90","","90","","90","","455.413","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","","Kvick, A.; McMullan, R.K.; Newton, M.D.","The structure of dinitrogen tetroxide N2 O4: neutron diffraction study at 100, 60, and 20 K and ab initio theoretical calculations","Journal of Chemical Physics","1982","76","","3754","3761","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530350","7.3036","","7.3036","","7.3036","","90","","90","","90","","389.593","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na Mn7 O12","","- Mn7 Na O12 -","- Mn7 Na O12 -","- Mn14 Na2 O24 -","2","0.0416667","","Marezio, M.; Dernier, P.D.; Chenavas, J.; Joubert, J.C.","High pressure synthesis and crystal structure of Na Mn7 O12","Journal of Solid State Chemistry","1973","6","","16","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530462","7.951","","7.951","","7.951","","90","","90","","90","","502.65","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Sc0.49 In0.50 (O H)3","","- H3 In0.5 O3 Sc0.49 -","- In0.5 O3 Sc0.49 -","- In4 O24 Sc3.92 -","8","0.166667","","Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.","Synthesis, spectral analyses and X-ray diffraction studies of 1:1 (Sc,In)(O H)3","Journal of the Less-Common Metals","1988","142","","341","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","155572","2020-10-21","18:00:00",""
"1530463","8.043","","8.043","","8.043","","90","","90","","90","","520.3","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Lu0.25 In0.75 (O H)3","","- H3 In0.75 Lu0.25 O3 -","- In0.752 Lu0.251 O3 -","- In6.016 Lu2.008 O24 -","8","0.166667","","Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.; Tims, T.A.","Crystal Structural Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O H)3","Journal of the Less-Common Metals","1989","152","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","155573","2020-10-21","18:00:00",""
"1530464","8.038","","8.038","","8.038","","90","","90","","90","","519.331","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Y0.25 In0.75 (O H)3","","- H3 In0.75 O3 Y0.25 -","- In0.75 O3 Y0.25 -","- In6 O24 Y2 -","8","0.166667","","Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.; Tims, T.A.","Crystal Structural Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O H)3","Journal of the Less-Common Metals","1989","152","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","155574","2020-10-21","18:00:00",""
"1530549","7.588","","7.588","","7.588","","90","","90","","90","","436.9","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","D.99 Mo O3","","- D0.99 Mo O3 -","- D0.99 Mo O3 -","- D7.92 Mo8 O24 -","8","0.166667","","Parise, J.B.; McCarron, E.M.; Sleight, A.W.","A new modification of Re O3 -type Mo O3 and the deuterated intercalation compound from which it is derived: D0.99 Mo O3","Materials Research Bulletin","1987","22","","803","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530718","7.41","","7.41","","7.41","","90","","90","","90","","406.869","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Re O3","","- O3 Re -","- O3 Re -","- O24 Re8 -","8","0.166667","","Schirber, J.E.; Morosin, B.; Alkire, R.W.; Vergamini, P.J.; Larson, A.C.","Structure of Re O3 above the ""compressibility collapse"" transition","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1984","29","","4150","4151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531112","9.1631","","9.1631","","9.1631","","90","","90","","90","","769.356","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Eu0.83 Fe4 Sb12 -","- Eu0.83 Fe4 Sb12 -","- Eu1.66 Fe8 Sb24 -","2","0.0416667","","Bauer, E.; Michor, H.; Berger, S.; Galatanu, A.; Paul, C.; Galli, M.; Hilscher, G.; Grytsiv, A.V.; Ni, B.; Rogl, P.; Abd-Elmeguid, M.M.; Tran, V.H.","Crystal structure and physical properties of Eu0.83 Fe4 Sb12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","2244141","2244147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531137","9.136","","9.136","","9.136","","90","","90","","90","","762.55","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ce0.88 Fe4 Sb11.85 -","- Ce0.88 Fe4 Sb11.88 -","- Ce1.76 Fe8 Sb23.76 -","2","0.0416667","","Berardan, D.; Alleno, E.; Godart, C.; Rogl, P.; Leroy, E.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531139","9.113","","9.113","","9.113","","90","","90","","90","","756.805","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.78 (Fe3.07 Co0.93) Sb11.69","","- Ce0.78 Co0.93 Fe3.07 Sb11.69 -","- Ce0.78 Co0.932 Fe3.068 Sb11.688 -","- Ce1.56 Co1.864 Fe6.136 Sb23.376 -","2","0.0416667","","Berardan, D.; Godart, C.; Alleno, E.; Leroy, E.; Rogl, P.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","156483","2020-10-21","18:00:00",""
"1531140","9.103","","9.103","","9.103","","90","","90","","90","","754.317","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.57 (Fe2.74 Co1.26) Sb11.82","","- Ce0.57 Co1.26 Fe2.74 Sb11.82 -","- Ce0.57 Co1.26 Fe2.74 Sb11.82 -","- Ce1.14 Co2.52 Fe5.48 Sb23.64 -","2","0.0416667","","Berardan, D.; Godart, C.; Alleno, E.; Leroy, E.; Rogl, P.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","156485","2020-10-21","18:00:00",""
"1531141","9.076","","9.076","","9.076","","90","","90","","90","","747.624","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.44 (Fe1.65 Co2.35) Sb11.71","","- Ce0.44 Co2.35 Fe1.65 Sb11.71 -","- Ce0.44 Co2.348 Fe1.652 Sb11.712 -","- Ce0.88 Co4.696 Fe3.304 Sb23.424 -","2","0.0416667","","Berardan, D.; Rogl, P.; Godart, C.; Leroy, E.; Alleno, E.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","156488","2020-10-21","18:00:00",""
"1531143","9.09","","9.09","","9.09","","90","","90","","90","","751.089","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.47 (Fe2.03 Co1.97) Sb12.14","","- Ce0.47 Co1.97 Fe2.03 Sb12.14 -","- Ce0.47 Co1.972 Fe2.028 Sb12.144 -","- Ce0.94 Co3.944 Fe4.056 Sb24.288 -","2","0.0416667","","Berardan, D.; Alleno, E.; Godart, C.; Leroy, E.; Rogl, P.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","156491","2020-10-21","18:00:00",""
"1531145","9.074","","9.074","","9.074","","90","","90","","90","","747.13","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.19 (Fe1.53 Co2.47) Sb11.87","","- Ce0.19 Co2.47 Fe1.53 Sb11.87 -","- Ce0.19 Co2.468 Fe1.532 Sb11.868 -","- Ce0.38 Co4.936 Fe3.064 Sb23.736 -","2","0.0416667","","Berardan, D.; Leroy, E.; Alleno, E.; Godart, C.; Rogl, P.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","156493","2020-10-21","18:00:00",""
"1531147","9.048","","9.048","","9.048","","90","","90","","90","","740.726","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.08 (Fe0.68 Co3.32) Sb11.83","","- Ce0.08 Co3.32 Fe0.68 Sb11.83 -","- Ce0.08 Co3.32 Fe0.68 Sb11.832 -","- Ce0.16 Co6.64 Fe1.36 Sb23.664 -","2","0.0416667","","Berardan, D.; Godart, C.; Alleno, E.; Leroy, E.; Rogl, P.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","156496","2020-10-21","18:00:00",""
"1531149","9.034","","9.034","","9.034","","90","","90","","90","","737.293","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ce0.02 Co4 Sb11.81 -","- Ce0.02 Co4 Sb11.808 -","- Ce0.04 Co8 Sb23.616 -","2","0.0416667","","Berardan, D.; Godart, C.; Alleno, E.; Leroy, E.; Rogl, P.","Existence, structure and valence properties of the skutterudites Cey Fe4-x Cox Sb12","Journal of Alloys Compd.","2003","350","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531152","9.137","","9.137","","9.137","","90","","90","","90","","762.8","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.85 Yb0.05 Fe4 Sb12.06","","- Ce0.85 Fe4 Sb12.06 Yb0.05 -","- Ce0.85 Fe4 Sb12.06 Yb0.05 -","- Ce1.7 Fe8 Sb24.12 Yb0.1 -","2","0.0416667","","Berardan, D.; Godart, C.; Berger, S.; Alleno, E.; Bauer, E.","Chemical properties and thermopower of the new series of skutterudite Ce1-p Ybp Fe4 Sb12","Journal of Alloys Compd.","2003","351","","18","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","156502","2020-10-21","18:00:00",""
"1531155","9.147","","9.147","","9.147","","90","","90","","90","","765.308","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.25 Yb0.69 Fe4 Sb11.94","","- Ce0.25 Fe4 Sb11.94 Yb0.69 -","- Ce0.25 Fe4 Sb11.94 Yb0.69 -","- Ce0.5 Fe8 Sb23.88 Yb1.38 -","2","0.0416667","","Berardan, D.; Godart, C.; Alleno, E.; Berger, S.; Bauer, E.","Chemical properties and thermopower of the new series of skutterudite Ce1-p Ybp Fe4 Sb12","Journal of Alloys Compd.","2003","351","","18","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","156505","2020-10-21","18:00:00",""
"1531158","9.152","","9.152","","9.152","","90","","90","","90","","766.563","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ce0.08 Yb0.86 Fe4 Sb11.91","","- Ce0.08 Fe4 Sb11.91 Yb0.86 -","- Ce0.08 Fe4 Sb11.91 Yb0.86 -","- Ce0.16 Fe8 Sb23.82 Yb1.72 -","2","0.0416667","","Berardan, D.; Alleno, E.; Godart, C.; Berger, S.; Bauer, E.","Chemical properties and thermopower of the new series of skutterudite Ce1-p Ybp Fe4 Sb12","Journal of Alloys Compd.","2003","351","","18","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","156508","2020-10-21","18:00:00",""
"1531160","9.154","","9.154","","9.154","","90","","90","","90","","767.066","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Yb0.93 Fe4 Sb12.08","","- Fe4 Sb12.08 Yb0.93 -","- Fe4 Sb12.084 Yb0.93 -","- Fe8 Sb24.168 Yb1.86 -","2","0.0416667","","Berardan, D.; Godart, C.; Alleno, E.; Berger, S.; Bauer, E.","Chemical properties and thermopower of the new series of skutterudite Ce1-p Ybp Fe4 Sb12","Journal of Alloys Compd.","2003","351","","18","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","156510","2020-10-21","18:00:00",""
"1531364","9.606","","9.606","","9.606","","90","","90","","90","","886.396","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","K Sb O3 (K F).1667","","- F0.166667 K1.09333 O3 Sb -","- F0.166667 K1.09333 O3 Sb -","- F2 K13.12 O36 Sb12 -","12","0.25","","Goodenough, J.B.; Hong, H.; Kafalas, J.A.","Fast Na±Ion transport in skeleton structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531365","9.306","","9.306","","9.306","","90","","90","","90","","805.915","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Na Sb O3 (Na F).1667","","- F0.1667 Na1.1667 O3 Sb -","- F0.166667 Na1.23333 O3 Sb -","- F2 Na14.8 O36 Sb12 -","12","0.25","","Goodenough, J.B.; Hong, H.Y.-P.; Kafalas, J.A.","Fast Na±Ion Transport in Skeleton Structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531417","9.1085","","9.1085","","9.1085","","90","","90","","90","","755.685","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Ni4 (Sb9 Sn3)","","- Ni4 Sb9 Sn3 -","- Ni4 Sb9 Sn3 -","- Ni8 Sb18 Sn6 -","2","0.0416667","","Grytsiv, A.V.; Rogl, P.; Lottermoser, W.; Berger, S.; Ferro, R.; Paul, C.; Bauer, E.; Godart, C.; Roisnel, T.; Musso, M.; Michor, H.; Saccone, A.; Hilscher, G.; Knoll, P.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156883","2020-10-21","18:00:00",""
"1531419","9.1575","","9.1575","","9.1575","","90","","90","","90","","767.946","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sn0.3 Ni4 (Sb6.4 Sn5.6)","","- Ni4 Sb6.4 Sn5.9 -","- Ni4 Sb6.396 Sn5.904 -","- Ni8 Sb12.792 Sn11.808 -","2","0.0416667","","Grytsiv, A.V.; Rogl, P.; Knoll, P.; Saccone, A.; Berger, S.; Michor, H.; Hilscher, G.; Paul, C.; Bauer, E.; Musso, M.; Lottermoser, W.; Roisnel, T.; Godart, C.; Ferro, R.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156886","2020-10-21","18:00:00",""
"1531422","9.1588","","9.1588","","9.1588","","90","","90","","90","","768.273","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Eu0.81 Ni4 (Sb5.8 Sn6.2)","","- Eu0.81 Ni4 Sb5.8 Sn6.2 -","- Eu0.812 Ni4 Sb5.796 Sn6.204 -","- Eu1.624 Ni8 Sb11.592 Sn12.408 -","2","0.0416667","","Grytsiv, A.V.; Musso, M.; Berger, S.; Paul, C.; Rogl, P.; Bauer, E.; Godart, C.; Michor, H.; Hilscher, G.; Saccone, A.; Roisnel, T.; Knoll, P.; Ferro, R.; Lottermoser, W.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156889","2020-10-21","18:00:00",""
"1531425","9.1399","","9.1399","","9.1399","","90","","90","","90","","763.527","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Yb0.58 Ni4 (Sb6.7 Sn5.3)","","- Ni4 Sb6.7 Sn5.3 Yb0.58 -","- Ni4 Sb6.696 Sn5.304 Yb0.58 -","- Ni8 Sb13.392 Sn10.608 Yb1.16 -","2","0.0416667","","Grytsiv, A.V.; Berger, S.; Rogl, P.; Paul, C.; Godart, C.; Lottermoser, W.; Knoll, P.; Michor, H.; Hilscher, G.; Bauer, E.; Ferro, R.; Saccone, A.; Musso, M.; Roisnel, T.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156892","2020-10-21","18:00:00",""
"1531426","8.2873","","8.2873","","8.2873","","90","","90","","90","","569.166","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Ni4 (As9.1 Ge2.9)","","- As9.1 Ge2.9 Ni4 -","- As9.096 Ge2.904 Ni4 -","- As18.192 Ge5.808 Ni8 -","2","0.0416667","","Grytsiv, A.V.; Rogl, P.; Knoll, P.; Paul, C.; Berger, S.; Lottermoser, W.; Musso, M.; Bauer, E.; Michor, H.; Hilscher, G.; Godart, C.; Saccone, A.; Ferro, R.; Roisnel, T.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156895","2020-10-21","18:00:00",""
"1531427","9.1537","","9.1537","","9.1537","","90","","90","","90","","766.991","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Eu0.75 Fe3.5 Co0.5 Sb12","","- Co0.5 Eu0.75 Fe3.5 Sb12 -","- Co0.5 Eu0.751 Fe3.5 Sb12 -","- Co Eu1.502 Fe7 Sb24 -","2","0.0416667","","Grytsiv, A.V.; Bauer, E.; Rogl, P.; Berger, S.; Kaczorowski, D.; Ni, B.; Paul, C.; Abd-Elmeguid, M.M.; Saccone, A.; Ferro, R.","Structure and physical properties of the thermoelectric skutterudites Euy Fe4-x Cox Sb12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","094411-1","094411-11","","","","","","","","","","","","","","","","","","","","","","has coordinates","156899","2020-10-21","18:00:00",""
"1531428","9.1257","","9.1257","","9.1257","","90","","90","","90","","759.974","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Eu0.63 Fe2.5 Co1.5 Sb12","","- Co1.5 Eu0.63 Fe2.5 Sb12 -","- Co1.5 Eu0.632 Fe2.5 Sb12 -","- Co3 Eu1.264 Fe5 Sb24 -","2","0.0416667","","Grytsiv, A.V.; Paul, C.; Berger, S.; Rogl, P.; Bauer, E.; Ni, B.; Saccone, A.; Abd-Elmeguid, M.M.; Kaczorowski, D.; Ferro, R.","Structure and physical properties of the thermoelectric skutterudites Euy Fe4-x Cox Sb12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","094411-1","094411-11","","","","","","","","","","","","","","","","","","","","","","has coordinates","156902","2020-10-21","18:00:00",""
"1531429","9.0819","","9.0819","","9.0819","","90","","90","","90","","749.083","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Eu0.42 Fe0.5 Co3.5 Sb12","","- Co3.5 Eu0.42 Fe0.5 Sb12 -","- Co3.5 Eu0.418 Fe0.5 Sb12 -","- Co7 Eu0.836 Fe Sb24 -","2","0.0416667","","Grytsiv, A.V.; Abd-Elmeguid, M.M.; Rogl, P.; Berger, S.; Paul, C.; Ni, B.; Bauer, E.; Saccone, A.; Ferro, R.; Kaczorowski, D.","Structure and physical properties of the thermoelectric skutterudites Euy Fe4-x Cox Sb12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","094411-1","094411-11","","","","","","","","","","","","","","","","","","","","","","has coordinates","156905","2020-10-21","18:00:00",""
"1532158","7.4037","","7.4037","","7.4037","","90","","90","","90","","405.832","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca Cu3 (Ti4 O12)","","- Ca Cu3 O12 Ti4 -","- Ca Cu3 O12 Ti4 -","- Ca2 Cu6 O24 Ti8 -","2","0.0416667","","Subramanian, M.A.; Sleight, A.W.","A Cu3 Ti4 O12 and A Cu3 Ru4 O12 perovskites: high dielectric constants and valence degeneracy","Solid State Sciences","2002","4","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532161","7.428","","7.428","","7.428","","90","","90","","90","","409.841","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca Cu3 (Ru4 O12)","","- Ca Cu3 O12 Ru4 -","- Ca Cu3 O12 Ru4 -","- Ca2 Cu6 O24 Ru8 -","2","0.0416667","","Subramanian, M.A.; Sleight, A.W.","A Cu3 Ti4 O12 and A Cu3 Ru4 O12 perovskites: high dielectric constants and valence degeneracy","Solid State Sciences","2002","4","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532163","7.4073","","7.4073","","7.4073","","90","","90","","90","","406.424","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Na Cu3 (Ru4 O12)","","- Cu3 Na O12 Ru4 -","- Cu3 Na O12 Ru4 -","- Cu6 Na2 O24 Ru8 -","2","0.0416667","","Subramanian, M.A.; Sleight, A.W.","A Cu3 Ti4 O12 and A Cu3 Ru4 O12 perovskites: high dielectric constants and valence degeneracy","Solid State Sciences","2002","4","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532186","12.48","","12.48","","12.48","","90","","90","","90","","1943.77","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al93.38 Cu6.02 Fe24 Si16.27 -","- Al93.384 Cu6.024 Fe24 Si16.272 -","- Al93.384 Cu6.024 Fe24 Si16.272 -","1","0.0208333","","Takeuchi, T.; Mizutani, U.","Interpretation of high electrical resistivity based on the structure determination of the Al - Cu - (Fe, Ru) - Si 1/1-cubic approximants","Journal of Alloys Compd.","2002","342","","416","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532761","9.0339","","9.0339","","9.0339","","90","","90","","90","","737.269","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.997 Te0.003)","","- Co Sb2.997 Te0.003 -","- Co Sb2.997 Te0.003 -","- Co8 Sb23.976 Te0.024 -","8","0.166667","","Wojciechowski, K.T.; Wegrzyn, Z.; Bucko, M.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532764","9.0419","","9.0419","","9.0419","","90","","90","","90","","739.229","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.91 Te0.09)","","- Co Sb2.91 Te0.09 -","- Co Sb2.91 Te0.09 -","- Co8 Sb23.28 Te0.72 -","8","0.166667","","Wojciechowski, K.T.; Bucko, M.; Wegrzyn, Z.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532766","9.0487","","9.0487","","9.0487","","90","","90","","90","","740.898","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.7 Te0.3)","","- Co Sb2.7 Te0.3 -","- Co Sb2.7 Te0.3 -","- Co8 Sb21.6 Te2.4 -","8","0.166667","","Wojciechowski, K.T.; Bucko, M.; Wegrzyn, Z.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533019","9.0429","","9.0429","","9.0429","","90","","90","","90","","739.474","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ca0.1 Co4 Sb12 -","- Ca0.1 Co4 Sb12 -","- Ca0.2 Co8 Sb24 -","2","0.0416667","","Puyet, M.; Lenoir, B.; Dauscher, A.; Clarke, S.J.; Weisbecker, P.","Synthesis and crystal structure of Cax Co4 Sb12 skutterudites","Journal of Solid State Chemistry","2004","177","","2138","2143","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533757","9.118","","9.118","","9.118","","90","","90","","90","","758.052","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Co Sb3 -","- Co Sb3 -","- Co8 Sb24 -","8","0.166667","","Bertini, L.; Platzek, D.; Stiewe, C.; Williams, S.; Muhammed, M.; Toprak, M.; Mrotzek, A.; Gatti, C.; Mueller, E.; Zhang Yu; Rowe, M.","Nanostructured Co1-x Nix Sb3 skutterudites: synthesis, thermoelectric properties and theoretical modelling","Journal of Applied Physics","2003","93","","438","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533760","9.15","","9.15","","9.15","","90","","90","","90","","766.061","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","(Co0.875 Ni0.125) Sb3","","- Co0.875 Ni0.125 Sb3 -","- Co0.875 Ni0.125 Sb3 -","- Co7 Ni Sb24 -","8","0.166667","","Bertini, L.; Stiewe, C.; Gatti, C.; Williams, S.; Toprak, M.; Mrotzek, A.; Zhang Yu; Muhammed, M.; Platzek, D.; Mueller, E.; Rowe, M.","Nanostructured Co1-x Nix Sb3 skutterudites: synthesis, thermoelectric properties and theoretical modelling","Journal of Applied Physics","2003","93","","438","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","160033","2020-10-21","18:00:00",""
"1533763","9.265","","9.265","","9.265","","90","","90","","90","","795.31","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","(Co0.75 Ni0.25) Sb3","","- Co0.75 Ni0.25 Sb3 -","- Co0.75 Ni0.25 Sb3 -","- Co6 Ni2 Sb24 -","8","0.166667","","Bertini, L.; Mrotzek, A.; Toprak, M.; Stiewe, C.; Zhang Yu; Muhammed, M.; Williams, S.; Platzek, D.; Gatti, C.; Mueller, E.; Rowe, M.","Nanostructured Co1-x Nix Sb3 skutterudites: synthesis, thermoelectric properties and theoretical modelling","Journal of Applied Physics","2003","93","","438","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","160037","2020-10-21","18:00:00",""
"1534516","7.296","","7.296","","7.296","","90","","90","","90","","388.378","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Nd Cu2.68 Mn0.32 Mn1.32 Mn2.68 O12","","- Cu2.68 Mn4.32 Nd O12 -","- Cu2.67 Mn4.33 Nd O12 -","- Cu5.34 Mn8.66 Nd2 O24 -","2","0.0416667","","Samaras, D.; Bochu, B.; Joubert, J.C.","Synthesis, composition, and magnetic properties of the ferrimagnetic Nd Cu3-x Mn4+x O12 Perovskite-like phases","Journal of Solid State Chemistry","1984","53","","323","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536222","17.5077","","17.5077","","17.5077","","90","","90","","90","","5366.45","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Te32 Ni33.396 O90 Br14.79","","- Br14.79 Ni33.396 O90 Te32 -","- Br14.789 Ni33.396 O90 Te32 -","- Br29.578 Ni66.792 O180 Te64 -","2","0.0416667","","Johnsson, M.; Toernroos, K.W.; Lidin, S.; Millet, P.; Buergi, H.B.","Host-guest compounds in the family of tellurium-nickel oxohalogenides","Angew. Chem. Int. ed.","2004","43","","4292","4295","","","","","","","","","","","","","","","","","","","","","","has coordinates","163857","2020-10-21","18:00:00",""
"1536226","17.4549","","17.4549","","17.4549","","90","","90","","90","","5318.05","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Te31.988 Ni33.1 O90 Cl14.214","","- Cl14.214 Ni33.1 O90 Te31.988 -","- Cl14.214 Ni33.1056 O90 Te31.988 -","- Cl28.428 Ni66.2112 O180 Te63.976 -","2","0.0416667","","Johnsson, M.; Lidin, S.; Toernroos, K.W.; Buergi, H.B.; Millet, P.","Host-guest compounds in the family of tellurium-nickel oxohalogenides","Angew. Chem. Int. ed.","2004","43","","4292","4295","","","","","","","","","","","","","","","","","","","","","","has coordinates","163861","2020-10-21","18:00:00",""
"1536230","17.5443","","17.5443","","17.5443","","90","","90","","90","","5400.18","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Te32 Ni34.48 O90 Cl18.45","","- Cl18.45 Ni34.48 O90 Te32 -","- Cl18.4514 Ni34.4832 O90 Te32.0012 -","- Cl36.9028 Ni68.9664 O180 Te64.0024 -","2","0.0416667","","Johnsson, M.; Lidin, S.; Toernroos, K.W.; Millet, P.; Buergi, H.B.","Host-guest compounds in the family of tellurium-nickel oxohalogenides","Angew. Chem. Int. ed.","2004","43","","4292","4295","","","","","","","","","","","","","","","","","","","","","","has coordinates","163865","2020-10-21","18:00:00",""
"1536897","7.39","","7.39","","7.39","","90","","90","","90","","403.583","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Cd Cu3 Ti4 O12","","- Cd Cu3 O12 Ti4 -","- Cd Cu3 O12 Ti4 -","- Cd2 Cu6 O24 Ti8 -","2","0.0416667","","Fesenko, E.G.; Razumovskaya, O.N.; Shuvaeva, V.A.; Bunina, O.A.; Gridneva, G.G.","The structure of CdCu3Ti4O12","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1991","1992","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537112","11.9662","","11.9662","","11.9662","","90","","90","","90","","1713.44","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- La4.88 Ni12 Sn24 -","- La4.87 Ni12 Sn24 -","- La9.74 Ni24 Sn48 -","2","0.0416667","","Zhuravleva, M.A.; Bilc, D.; Kanatzidis, M.G.; Mahanti, S.D.","Single crystal X-ray structure investigation and electronic structure studies of la-deficient nickel stannide La4.87 Ni12 Sn24 grown from Sn flux","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537500","7.25173","","7.25173","","7.25173","","90","","90","","90","","381.351","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Na0.82 Cu3 (V O3)4","","- Cu3 Na0.82 O12 V4 -","- Cu3 Na0.82 O12 V4 -","- Cu6 Na1.64 O24 V8 -","2","0.0416667","","Kadyrova, N.I.; Tyutyunnik, A.P.; Zubkov, V.G.; Volkov, V.L.; Zakharova, G.S.; D'yachkova, T.V.; Zainulin, Yu.G.","Thermobaric synthesis and crystal structure of new compounds, Na Cu3 V4 O12 and Ca Cu3 V4 O12","Zhurnal Neorganicheskoi Khimii","2003","48","","1941","1946","","","","","","","","","","","","","","","","","","","","","","has coordinates","165701","2020-10-21","18:00:00",""
"1537501","7.28453","","7.28453","","7.28453","","90","","90","","90","","386.549","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca Cu3 (V O3)4","","- Ca Cu3 O12 V4 -","- Ca Cu3 O12 V4 -","- Ca2 Cu6 O24 V8 -","2","0.0416667","","Kadyrova, N.I.; Zakharova, G.S.; Tyutyunnik, A.P.; Zubkov, V.G.; Volkov, V.L.; D'yachkova, T.V.; Zainulin, Yu.G.","Thermobaric synthesis and crystal structure of new compounds, Na Cu3 V4 O12 and Ca Cu3 V4 O12","Zhurnal Neorganicheskoi Khimii","2003","48","","1941","1946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538030","6.238","","6.238","","6.238","","90","","90","","90","","242.737","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Pt3 O4","","- O4 Pt3 -","- O4 Pt3 -","- O8 Pt6 -","2","0.0416667","","Galloni, E.E.; Roffo, A.E.jr.","The crystalline structure of Pt3 O4","Journal of Chemical Physics","1941","9","","875","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","166436","2020-10-21","18:00:00",""
"1540765","11.39","","11.39","","11.39","","90","","90","","90","","1477.65","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","K6 C60","","- C60 K6 -","- C60 K6 -","- C120 K12 -","2","0.0416667","","Zhou, O.; Cox, D.E.","Structures of C60 intercalation compounds","Journal of Physics and Chemistry of Solids","1992","53","","1373","1390","","","","","","","","","","","","","","","","","","","","","","has coordinates","171894","2020-10-21","18:00:00",""
"1540766","11.54","","11.54","","11.54","","90","","90","","90","","1536.8","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Rb6 C60","","- C60 Rb6 -","- C60 Rb6 -","- C120 Rb12 -","2","0.0416667","","Zhou, O.; Cox, D.E.","Structures of C60 intercalation compounds","Journal of Physics and Chemistry of Solids","1992","53","","1373","1390","","","","","","","","","","","","","","","","","","","","","","has coordinates","171895","2020-10-21","18:00:00",""
"1540769","11.79","","11.79","","11.79","","90","","90","","90","","1638.86","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Cs C10","","- C10 Cs -","- C10 Cs -","- C120 Cs12 -","12","0.25","","Zhou, O.; Cox, D.E.","Structures of C60 intercalation compounds","Journal of Physics and Chemistry of Solids","1992","53","","1373","1390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541754","9.551","","9.551","","9.551","","90","","90","","90","","871.258","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","H (N H3).80 Sb O3","","- H3.4 N0.8 O3 Sb -","- N0.8 O3 Sb -","- N9.6 O36 Sb12 -","12","0.25","","Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.","Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541756","9.488","","9.488","","9.488","","90","","90","","90","","854.13","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","H (N H3).32 Sb O3","","- H1.96 N0.32 O3 Sb -","- H0.34 N0.32 O3 Sb -","- H4.08 N3.84 O36 Sb12 -","12","0.25","","Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.","Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541758","9.53","","9.53","","9.53","","90","","90","","90","","865.523","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","H (N H3).83 Sb O3","","- H3.49 N0.83 O3 Sb -","- H0.44 N0.833333 O3 Sb -","- H5.28 N10 O36 Sb12 -","12","0.25","","Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.","Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541821","7.77","","7.77","","7.77","","90","","90","","90","","469.097","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","","Broadley, J.S.; Robertson, J.M.","Structure of dinitrogen tetroxide","Nature (London)","1949","164","","915","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541823","7.656","","7.656","","7.656","","90","","90","","90","","448.751","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na0.54 (W O3)","","- Na0.54 O3 W -","- Na0.54 O3 W -","- Na4.32 O24 W8 -","8","0.166667","","Wiseman, P.J.; Dickens, P.","Neutron diffraction studies of cubic tungsten bronzes","Journal of Solid State Chemistry","1976","17","","91","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541824","7.446","","7.446","","7.446","","90","","90","","90","","412.828","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Li0.36 (W O3)","","- Li0.36 O3 W -","- Li0.36 O3 W -","- Li2.88 O24 W8 -","8","0.166667","","Wiseman, P.J.; Dickens, P.","Neutron diffraction studies of cubic tungsten bronzes","Journal of Solid State Chemistry","1976","17","","91","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541869","7.882","","7.882","","7.882","","90","","90","","90","","489.677","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc (O H)3","","- H3 O3 Sc -","- O3 Sc -","- O24 Sc8 -","8","0.166667","","Schubert, K.; Seitz, A.","Kristallstruktur von Sc (O H)3 und In (O H)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1948","256","","226","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546365","7.30355","0.00009","7.30355","0.00009","7.30355","0.00009","90","","90","","90","","389.585","0.008","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.8Sr0.2Cu3Fe4O12 at 300 K","","","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca1.6 Cu6 Fe8 O24 Sr0.4 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198058","2020-10-21","18:00:00",""
"1546367","7.31708","0.00017","7.31708","0.00017","7.31708","0.00017","90","","90","","90","","391.754","0.016","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.6Sr0.4Cu3Fe4O12 at 300 K","","","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198060","2020-10-21","18:00:00",""
"1546368","7.2942","0.0007","7.2942","0.0007","7.2942","0.0007","90","","90","","90","","388.09","0.06","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.6Sr0.4Cu3Fe4O12 at 20 K","","","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198061","2020-10-21","18:00:00",""
"1546369","7.33013","0.00014","7.33013","0.00014","7.33013","0.00014","90","","90","","90","","393.854","0.013","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.4Sr0.6Cu3Fe4O12 at 300 K","","","- Ca0.4 Cu3 Fe4 O12 Sr0.6 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198062","2020-10-21","18:00:00",""
"1546370","7.3364","0.00015","7.3364","0.00015","7.3364","0.00015","90","","90","","90","","394.865","0.014","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.4Sr0.6Cu3Fe4O12 at 20 K","","","- Ca0.4 Cu3 Fe4 O12 Sr0.6 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198063","2020-10-21","18:00:00",""
"1546371","7.34542","0.00015","7.34542","0.00015","7.34542","0.00015","90","","90","","90","","396.324","0.014","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.2Sr0.8Cu3Fe4O12 at 300 K","","","- Ca0.2 Cu3 Fe4 O12 Sr0.8 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198064","2020-10-21","18:00:00",""
"1546372","7.35387","0.00014","7.35387","0.00014","7.35387","0.00014","90","","90","","90","","397.693","0.013","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.2Sr0.8Cu3Fe4O12 at 20 K","","","- Ca0.2 Cu3 Fe4 O12 Sr0.8 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198065","2020-10-21","18:00:00",""
"1552355","18.1038","0.0011","18.1038","0.0011","18.1038","0.0011","90","","90","","90","","5933.5","0.6","100","2","100","","","","","","","","","5","I m -3","-I 2 2 3","204","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent]","5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent]","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C264 H264 N24 O12 S12 -","6","0.125","ZQ4037","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione","IUCrData","2019","4","9","x191268","","10.1107/S2414314619012689","","","0.71073","MoKα","","0.0597","0.049","","","0.1095","0.1221","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","218918","2020-10-21","18:00:00",""
"1566759","9.036","0.0001","9.036","0.0001","9.036","0.0001","90","","90","","90","","737.783","0.014","293","","293","","","","","","","","","2","I m -3","-I 2 2 3","204","Cobalt antimonide (1/3)","Cobalt antimonide (1/3)","","- Co Sb3 -","- Co Sb3 -","- Co8 Sb24 -","8","0.166667","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0154","0.0121","","","0.0324","0.0431","","","","1.06","1.06","1.34","","","","has coordinates","275879","2022-06-07","14:05:50",""
"1568161","12.1735","0.0002","12.1735","0.0002","12.1735","0.0002","90","","90","","90","","1804.04","0.05","273","2","273.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba4 Cu12 Rb6 Se13 -","- Ba4 Cu12 Rb6 Se13 -","- Ba8 Cu24 Rb12 Se26 -","2","0.0416667","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0257","0.0236","","","0.0614","0.0627","","","","","","1.172","","","","has coordinates","279987","2022-12-21","16:28:02",""
"2002953","9.0971","0.0006","9.0971","0.0006","9.0971","0.0006","90","","90","","90","","752.85","0.09","295","","295","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co2.52 Fe5.48 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.045","","","0.035","","","","1.31","1.735","1.735","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002954","9.0854","0.0011","9.0854","0.0011","9.0854","0.0011","90","","90","","90","","749.95","0.16","200","","200","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.048","","","0.036","","","","1.34","1.805","1.805","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002955","9.0857","0.0011","9.0857","0.0011","9.0857","0.0011","90","","90","","90","","750.02","0.16","150","","150","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.045","","","0.036","","","","1.35","1.814","1.814","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002956","9.0813","0.0005","9.0813","0.0005","9.0813","0.0005","90","","90","","90","","748.93","0.07","125","","125","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.062","","","0.043","","","","1.26","1.578","1.578","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002957","9.0809","0.0004","9.0809","0.0004","9.0809","0.0004","90","","90","","90","","748.84","0.06","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.041","","","0.031","","","","1.23","1.518","1.518","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002958","9.0814","0.0005","9.0814","0.0005","9.0814","0.0005","90","","90","","90","","748.96","0.07","75","","75","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.042","","","0.034","","","","1.36","1.846","1.846","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002959","9.0839","0.0006","9.0839","0.0006","9.0839","0.0006","90","","90","","90","","749.58","0.09","50","","50","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.039","","","0.031","","","","1.24","1.549","1.549","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002960","9.0771","0.0004","9.0771","0.0004","9.0771","0.0004","90","","90","","90","","747.9","0.06","25","","25","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.049","","","0.036","","","","1.39","1.932","1.932","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002961","9.0762","0.0012","9.0762","0.0012","9.0762","0.0012","90","","90","","90","","747.67","0.17","10","","10","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.037","","","0.029","","","","1.16","1.343","1.343","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020028","14.414","","14.414","","14.414","","90","","90","","90","","2994.7","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Rh13.6 Sc56.8 -","- Rh13.6 Sc56.814 -","- Rh27.2 Sc113.628 -","2","0.0416667","","Cenzual, K.; Parthe, E.; Chabot, B.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2021894","15.7531","0.00005","15.7531","0.00005","15.7531","0.00005","90","","90","","90","","3909.29","0.02","295","","295","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd113.75 Mg31.37 Yb24 -","- Cd113.75 Mg31.3744 Yb24.01 -","- Cd113.75 Mg31.3744 Yb24.01 -","1","0.0208333","","Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang","Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1125","","10.1107/S2052520617013270","","x-ray","0.71073","MoKα","","0.032","0.0295","","","0.0686","0.0698","","","","","","1.174","","","","has coordinates","246114","2020-10-21","18:00:00",""
"2103985","7.693272","0.000017","7.693272","","7.693272","","90","","90","","90","","455.337","0.001","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Na0.74 O3 W -","- Na0.74 O3 W -","- Na5.92 O24 W8 -","8","0.166667","WS0005","Darlington, C. N. W.; Hriljac, J. A.; Knight, K. S.","Structures of Na~0.74~WO~3~","Acta Crystallographica Section B","2003","59","5","584","587","10.1107/S0108768103015738","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104473","7.7529","0.0001","7.7529","0.0001","7.7529","0.0001","90","","90","","90","","466.007","0.01","100","","100","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","SO5026","Tsirelson, Vladimir G.; Shishkina, Anastasia V.; Stash, Adam I.; Parsons, Simon","The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide","Acta Crystallographica Section B","2009","65","5","647","658","10.1107/S0108768109028821","","","0.71073","MoKα","","0.0293","0.0278","","0.0763","0.0752","0.0763","","","","","","1.0277","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104474","7.7529","0.0001","7.7529","0.0001","7.7529","0.0001","90","","90","","90","","466.01","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","?","- N0.5 O2 -","- N3 O12 -","6","0.125","SO5026","Tsirelson, Vladimir G.; Shishkina, Anastasia V.; Stash, Adam I.; Parsons, Simon","The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide","Acta Crystallographica Section B","2009","65","5","647","658","10.1107/S0108768109028821","","","","","","","0.015","","","","0.023","","","","","","1.443","","","","has coordinates","175786","2020-10-21","18:00:00",""
"2106188","8.195","","8.195","","8.195","","90","","90","","90","","550.36","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Co As3","","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Mandel, N.; Donohue, J.","The refinement of the crystal structure of skutterudite, Co As3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2288","2289","","","","","","","","","","","","","","","","","","","","","","has coordinates","214433","2020-10-21","18:00:00",""
"2106217","15.482","","15.482","","15.482","","90","","90","","90","","3710.92","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Y Cd6","","- Cd6 Y -","- Cd5.99767 Y -","- Cd143.944 Y24 -","24","0.5","","Larson, A.C.; Cromer, D.T.","The crystal structure of Y Cd6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1875","1879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106348","7.8316","","7.8316","","7.8316","","90","","90","","90","","480.343","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Fe4 La P12 -","- Fe4 La P12 -","- Fe8 La2 P24 -","2","0.0416667","","Jeitschko, W.; Braun, D.J.","La Fe4 P12 with filled CoAs3-type structure and isotypic lanthanoid-transition metal polyphosphides","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3401","3406","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106411","7.202","","7.202","","7.202","","90","","90","","90","","373.559","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu3 Ge4 O12 -","- Ca Cu3 Ge4 O12 -","- Ca2 Cu6 Ge8 O24 -","2","0.0416667","","Ozaki, Y.; Ghedira, M.; Joubert, J.C.; Chenavas, J.; Marezio, M.","High-pressure sythesis and bond lengths of calcium copper germanium oxide (Ca Cu3)(Ge4) O12","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3615","3617","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2108379","13.8451","0.0002","13.8451","0.0002","13.8451","0.0002","90","","90","","90","","2653.92","0.07","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al84 Cu26 Li40 Mg12 -","- Al84 Cu26 Li40 Mg12 -","- Al84 Cu26 Li40 Mg12 -","1","0.0208333","RA5047","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut","Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000349","","","0.71073","MoKα","","0.0241","0.0231","","","0.0618","0.0619","","","","","","1.04","","","","has coordinates,has Fobs","214141","2020-10-21","18:00:00",""
"2108845","15.4577","0.0001","15.4577","0.0001","15.4577","0.0001","90","","90","","90","","3693.47","0.04","100","2","100","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd109.89 Mg35.29 Y24 -","- Cd109.892 Mg35.2872 Y24 -","- Cd109.892 Mg35.2872 Y24 -","1","0.0208333","","Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid","2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006715","","x-ray","0.71073","MoKα","","0.0227","0.0224","","","0.0508","0.0509","","","","","","1.245","","","","has coordinates,has Fobs","267782","2021-07-28","05:22:16",""
"2215386","14.4104","0.0017","14.4104","0.0017","14.4104","0.0017","90","","90","","90","","2992.5","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","amido-bis(cyclopentadienyl)ytterbium","di-μ-amido-bis[bis(η^5^-cyclopentadienyl)ytterbium(III)]","","- C20 H24 N2 Yb2 -","- C20 H24 N2 Yb2 -","- C120 H144 N12 Yb12 -","6","0.125","BT2511","Zeuner, Martin; Schnick, Wolfgang","Cubic di-μ-amido-bis[bis(η^5^-cyclopentadienyl)ytterbium(III)]","Acta Crystallographica Section E","2007","63","10","m2581","","10.1107/S1600536807045187","","","0.71073","MoKα","","0.0507","0.0245","","","0.0457","0.0505","","","","","","0.869","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224851","8.04163","0.0001","8.04163","0.0001","8.04163","0.0001","90","","90","","90","","520.035","0.011","100","1","100","1","","","","","","","","3","I m -3","-I 2 2 3","204","Europium Ruthenium Phosphosphide","Europium ruthenium polyphosphide","","- Eu0.97 P12 Ru4 -","- Eu0.97 P12 Ru4 -","- Eu1.94 P24 Ru8 -","2","0.0416667","BR2130","Kagomiya, Isao; Funahashi, Shiro; Sakakura, Terutoshi; Komori, Takashi; Tanaka, Kiyoaki","Filled skutterudite structure of europium ruthenium polyphosphide, EuRu~4~P~12~","Acta Crystallographica Section E","2010","66","2","i6","","10.1107/S1600536810000589","","","0.71073","MoKα","","","0.0203","","","0.0237","0.0237","","","","","","1.542","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2310426","9.2495","","9.2495","","9.2495","","90","","90","","90","","791.325","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Ir Sb3 -","- Ir Sb3 -","- Ir8 Sb24 -","8","0.166667","","Kjekshus, A.; Pedersen, G.","The crystal structure of Ir As3 and Ir Sb3","Acta Crystallographica (1,1948-23,1967)","1961","14","","1065","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311008","12.56","","12.56","","12.56","","90","","90","","90","","1981.39","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","(Al19 Fe4 Mn Si2)10.61","","- Al201.593 Fe42.4416 Mn10.6104 -","- Al201.593 Fe42.4416 Mn10.6104 -","- Al201.593 Fe42.4416 Mn10.6104 -","1","0.0208333","","Cooper, M.","The crystal structure of ternary alpha-(Al Fe Si)","Acta Crystallographica (1,1948-23,1967)","1967","23","","1106","1107","","","","","","","","","","","","","","","","","","","","","","has coordinates","168888","2020-10-21","18:00:00",""
"4000298","7.47057","0.00026","7.47057","","7.47057","","90","","90","","90","","416.928","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- Ca Cu3 Ga2 Nb2 O12 -","- Ca Cu3 Ga2 Nb2 O12 -","- Ca2 Cu6 Ga4 Nb4 O24 -","2","0.0416667","","","","Chemistry of Materials","2003","","","","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000485","7.42757","0.00003","7.42757","0.00003","7.42757","0.00003","90","","90","","90","","409.769","0.004","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Strontium copper titanium oxide","","- Cu3 O12 Sr Ti4 -","- Cu2.946 O12 Sr0.946 Ti4.054 -","- Cu5.892 O24 Sr1.892 Ti8.108 -","2","0.0416667","","Li, J; Subramanianb, M A; Rosenfeldb, H D; Jones, C Y; Toby, B H; Sleight, A W","","Chemistry of Materials","2004","","","","","10.1021/cm048345u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000780","7.458","0.004","7.458","0.004","7.458","0.004","90","","90","","90","","414.8","0.4","294","2","294","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Bi0.94 Mn7 O12 -","- Bi0.9448 Mn7 O12 -","- Bi1.8896 Mn14 O24 -","2","0.0416667","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0269","0.0195","","","0.0326","0.0343","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000928","9.29997","0.00006","9.29997","0.00006","9.29997","0.00006","90","","90","","90","","804.349","0.009","296","2","296","2","","","","","","","","3","I m -3","-I 2 2 3","204","Iodine-filled skutterudite","Iodine rhodium antimonide","","- I0.9 Rh4 Sb12 -","- I0.905 Rh4 Sb12 -","- I1.81 Rh8 Sb24 -","2","0.0416667","","Fukuoka, Hiroshi; Yamanaka, Shoji","High-Pressure Synthesis, Structure, and Electrical Property of Iodine-Filled Skutterudite I0.9Rh4Sb12—First Anion-Filled Skutterudite","Chemistry of Materials","2010","22","1","47","","10.1021/cm901594q","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.3955","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001481","9.05294","0.00006","9.05294","","9.05294","","90","","90","","90","","741.94","0.005","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Co In0.05 Sb3 -","- Co In0.05 Sb3 -","- Co8 In0.4 Sb24 -","8","0.166667","","He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.","Thermoelectric Properties of Indium-Filled Skutterudites","Chemistry of Materials","2006","18","3","759","","10.1021/cm052055b","powder diffraction","x-ray","0.351164","","","","","","","","","0.05684","","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001958","16.3608","0.0006","16.3608","0.0006","16.3608","0.0006","90","","90","","90","","4379.4","0.3","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B4 Ca53 H23 In13 -","- B2.32 Ca52.668 H24.68 In13 -","- B4.64 Ca105.336 H49.36 In26 -","2","0.0416667","","Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.","Ca54In13B4‒xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions","Chemistry of Materials","2014","26","10","3202","","10.1021/cm5007982","","","0.71073","MoKα","","0.0171","0.0164","","","0.0415","0.0417","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001959","16.3608","0.0006","16.3608","0.0006","16.3608","0.0006","90","","90","","90","","4379.4","0.3","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B4 Ca53 H23 In13 -","- B1.64 Ca52.68 H25.36 In13 -","- B3.28 Ca105.36 H50.72 In26 -","2","0.0416667","","Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.","Ca54In13B4–xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions","Chemistry of Materials","2014","26","10","3202","","10.1021/cm5007982","","","0.71073","MoKα","","0.0171","0.0165","","","0.0395","0.0397","","","","","","1.142","","","","has coordinates","281946","2023-03-20","09:26:09",""
"4002252","11.21661","","11.21661","","11.21661","","90","","90","","90","","1411.19","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","K3.07 Ba2.90 C60","","- C60 Ba2.9 K3.07 -","- C60 Ba2.904 K3.072 -","- C120 Ba5.808 K6.144 -","2","0.0416667","","Margadonna, S.; Aslanis, E.; Li, W.Z.; Prassides, K.; Fitch, A.N.; Hansen, T.C.","Crystal structure of superconducting K3 Ba3 C60 : a combined synchrotron X-ray and neutron diffraction study","Chemistry of Materials (1,1989-)","2000","12","","2736","2740","","","","","","","","","","","","","","","","","","","","","","has coordinates","141035","2020-10-21","18:00:00",""
"4002543","12.151","","12.151","","12.151","","90","","90","","90","","1794.06","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","(N D3)6 Na2 C60","","- C60 D18 N6 Na2 -","- C60 D18 N6 Na2.004 -","- C120 D36 N12 Na4.008 -","2","0.0416667","","Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D.","Cation-site and anion charge ordering in body-centered cubic-packed fullerides with complex counterions","Chemistry of Materials (1,1989-)","2003","15","","1497","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","158560","2020-10-21","18:00:00",""
"4002559","7.21901","","7.21901","","7.21901","","90","","90","","90","","376.212","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca (Cu2.42 Mn0.58) Mn4 O12","","- Ca Cu2.42 Mn4.58 O12 -","- Ca Cu2.424 Mn4.576 O12 -","- Ca2 Cu4.848 Mn9.152 O24 -","2","0.0416667","","Sanchez-Benitez, JJ.; Alonso, J.A.; Fernandez-Diaz, M.T.; Casais, M.T.; Martinez, J.L.; Martinez-Lope, M.J.; de Andres, A.","Preparation, crystal and magnetic structure and magnetotransport properties of the double perovskite Ca Cu2.5 Mn4.5 O12","Chemistry of Materials (1,1989-)","2003","15","","2193","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030270","8.075","0.002","8.075","0.002","8.075","0.002","90","","90","","90","","526.5","0.2","","","293","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba F12 Fe4 Na2 -","- Ba F12 Fe4 Na1.998 -","- Ba2 F24 Fe8 Na3.996 -","2","0.0416667","","Darriet, J.; Mayorga, S. G.; Tressaud, A.","Crystal structure of Na2BaFe4F12 : a new ordered perovskite-like fluoride","European Journal of Solid State and Inorganic Chemistry","1990","27","","783","790","","","x-ray","0.71069","MoKα","","","0.0257","","","0.025","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030419","8.075","0.002","8.075","0.002","8.075","0.002","90","","90","","90","","526.5","0.2","","","293","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba0.84 F12 Fe3.16 Na4 -","- Ba0.84 F12 Fe3.16 Na4.001 -","- Ba1.68 F24 Fe6.32 Na8.002 -","2","0.0416667","","Darriet, J.; Ducau, M.; Tressaud, A.","On the crystal structure of the new perovskite Na4BaxFe4-xF12 (x=0.84(1))","European Journal of Solid State and Inorganic Chemistry","1992","29","","395","398","","","x-ray","0.71069","MoKα","","","0.0232","","","0.0247","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4100601","14.9159","0.0007","14.9159","0.0007","14.9159","0.0007","90","","90","","90","","3318.6","0.3","123","2","123","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C6 H12 Cu N3 O -","- C6 H12 Cu N3 O1.01 -","- C72 H144 Cu12 N36 O12.12 -","12","0.25","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101359","13.8629","0.0016","13.8629","0.0016","13.8629","0.0016","90","","90","","90","","2664.2","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Mg0.18 Sc3 Zn17.73 -","- Mg0.1815 Sc3 Zn17.7275 -","- Mg1.452 Sc24 Zn141.82 -","8","0.166667","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.032","0.0264","","","0.0564","0.058","","","","","","1.056","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4102040","23.1603","0.0012","23.1603","0.0012","23.1603","0.0012","90","","90","","90","","12423.2","1.1","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H175 Co4 N36 O165 P3 W36 -","- C144 H132 Co4 N36 O165 P3 W36 -","- C288 H264 Co8 N72 O330 P6 W72 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.057","0.0516","","","0.2052","0.2115","","","","","","1.013","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102041","23.2292","0.0011","23.2292","0.0011","23.2292","0.0011","90","","90","","90","","12534.4","1","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H189 Co4 Mo36 N36 O172 P3 -","- C144 H188.96 Co4 Mo36 N36 O172 P3 -","- C288 H377.92 Co8 Mo72 N72 O344 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.037","0.0287","","","0.0646","0.0669","","","","","","1.047","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102042","23.1496","0.0007","23.1496","0.0007","23.1496","0.0007","90","","90","","90","","12406","0.6","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H175 Co4 Mo36 N36 O165 P3 -","- C144 H132 Co4 Mo36 N36 O165 P3 -","- C288 H264 Co8 Mo72 N72 O330 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.0776","0.0444","","","0.0636","0.0679","","","","","","1.062","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102043","23.1704","0.0011","23.1704","0.0011","23.1704","0.0011","90","","90","","90","","12439.4","1","123","2","123","2","","","","","","","","8","I m -3","-I 2 2 3","204","","","","- C144 H186 Co4 K Mo36 N36 O171 P3 -","- C144 H132 Co4 K1.04 Mo36 N36 O171.04 P3 -","- C288 H264 Co8 K2.08 Mo72 N72 O342.08 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.0964","0.0497","","","0.0697","0.0753","","","","","","1.042","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4103729","29.319","0.003","29.319","0.003","29.319","0.003","90","","90","","90","","25203","4","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C46 H56 In4 K3 N26 O27.5 -","- C46 H56 In4 K3 N25.9867 O27.49 -","- C552 H672 In48 K36 N311.84 O329.88 -","12","0.25","","Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu","From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies","Journal of the American Chemical Society","2010","132","","18038","18041","10.1021/ja109980c","","","0.71073","MoKα","","0.0737","0.0497","","","0.1343","0.1464","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109448","15.152","0.002","15.152","0.002","15.152","0.002","90","","90","","90","","3478.6","0.8","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.2 Ca3 In6.3 -","- Au12.168 Ca3 In6.298 -","- Au97.344 Ca24 In50.384 -","8","0.166667","","Qisheng Lin; John D. Corbett","Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning","Journal of the American Chemical Society","2007","129","","6789","6797","10.1021/ja069143x","","","0.71073","MoKα","","0.0614","0.0498","","","0.1136","0.118","","","","","","1.079","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109943","32.8615","0.0008","32.8615","0.0008","32.8615","0.0008","90","","90","","90","","35486.4","1.5","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","Platinum/Palladium Carbonyl Phosphine cluster","","","- C450 H336 O78 P20 Pd157.2 Pt7.8 -","- C468 O84 P20 Pd157.16 Pt7.84 -","- C936 O168 P40 Pd314.32 Pt15.68 -","2","0.0416667","","Evgueni G. Mednikov; Matthew C. Jewell; Lawrence F. Dahl","Nanosized (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ~ 7) Containing Pt-Centered Four-Shell 165-Atom Pd-Pt Core with Unprecedented Intershell Bridging Carbonyl Ligands: Comparative Analysis of Icosahedral Shell-Growth Patterns with Geometrically Related Pd145(CO)x(PEt3)30 (x ~ 60) Containing Capped Three-Shell Pd145 Core","Journal of the American Chemical Society","2007","129","","11619","11630","10.1021/ja073945q","","","0.71073","MoKα","","0.1671","0.1112","","","0.3026","0.3553","","","","","","1.374","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111936","13.5027","0.0004","13.5027","0.0004","13.5027","0.0004","90","","90","","90","","2461.85","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.39 Mg0.17 Sc3 -","- Cu10.5 Ga7.386 Mg0.174 Sc3 -","- Cu84 Ga59.088 Mg1.392 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0498","0.0438","","","0.1003","0.1039","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111937","13.5005","0.0004","13.5005","0.0004","13.5005","0.0004","90","","90","","90","","2460.65","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.25 Mg0.17 Sc3 -","- Cu10.5 Ga7.247 Mg0.168 Sc3 -","- Cu84 Ga57.976 Mg1.344 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0453","0.0427","","","0.1026","0.1041","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119596","7.3077","0.0001","7.3077","0.0001","7.3077","0.0001","90","","90","","90","","390.249","0.009","","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0416667","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.00944","","","","","","0.01097","0.00515","0.7635","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119597","7.3227","0.0001","7.3227","0.0001","7.3227","0.0001","90","","90","","90","","392.657","0.009","450","","450","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0416667","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.01525","","","","","","0.01521","0.01321","0.8803","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4124509","10.9292","","10.9292","","10.9292","","90","","90","","90","","1305.46","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Eu6 C60","","- C60 Eu6 -","- C60 Eu6 -","- C120 Eu12 -","2","0.0416667","","Margiolaki, I.; Margadonna, S.; Prassides, K.; Suematsu, H.; Hansen, T.; Ishii, K.","Magnetic structure of the europium fulleride ferromagnet Eu6 C60","Journal of the American Chemical Society","2002","124","","11288","11289","","","","","","","","","","","","","","","","","","","","","","has coordinates","157297","2020-10-21","18:00:00",""
"4129504","41.49","0.006","41.49","0.006","41.49","0.006","90","","90","","90","","71422","18","300","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","Zr6O7.24(OH)0.89L4.31_(H2O)55","","","- C119.68001 O290.64267 S14.96 Zr20.84 -","- C119.68 O290.643 S14.96 Zr20.84 -","- C718.08 O1743.86 S89.76 Zr125.04 -","6","0.125","","Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi","The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","35","11498","11506","10.1021/jacs.5b07267","powder diffraction","","0.9998","synchrotron","","0.01788","","","","","","0.01787","0.03898","2.3864","","","","","","","has coordinates","240212","2020-10-21","18:00:00",""
"4305608","21.3615","0.0009","21.3615","0.0009","21.3615","0.0009","90","","90","","90","","9747.5","0.7","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C162 H168 Co9 N60 O60 -","- C162 H168 Co9 N60 O60 -","- C324 H336 Co18 N120 O120 -","2","0.0416667","","Man-Li Cao; Hong-Guo Hao; Wei-Xiong Zhang; Bao-Hui Ye","Assembly of a Cubic Nanocage Co8L12 and a Hydrogen-Bonded 3D NbO Net Based on the [(HCO3)2]2- Synthon and Water","Inorganic Chemistry","2008","47","","8126","8133","10.1021/ic800585d","","","0.71073","MoKα","","0.1086","0.0644","","","0.1729","0.1993","","","","","","1.007","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305715","14.6941","0.0006","14.6941","0.0006","14.6941","0.0006","90","","90","","90","","3172.7","0.2","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au9.3 Ca3 Ga9.7 -","- Au9.271 Ca3 Ga9.719 -","- Au74.168 Ca24 Ga77.752 -","8","0.166667","","Qisheng Lin; John D. Corbett","Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium","Inorganic Chemistry","2008","47","","7651","7659","10.1021/ic800694j","","","0.71073","MoKα","","0.0774","0.0581","","","0.14","0.1488","","","","","","1.089","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305716","14.7306","0.0006","14.7306","0.0006","14.7306","0.0006","90","","90","","90","","3196.4","0.2","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au11.07 Ca3 Ga7.93 -","- Au11.0675 Ca3 Ga7.9345 -","- Au88.54 Ca24 Ga63.476 -","8","0.166667","","Qisheng Lin; John D. Corbett","Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium","Inorganic Chemistry","2008","47","","7651","7659","10.1021/ic800694j","","","0.71073","MoKα","","0.0642","0.0453","","","0.1105","0.118","","","","","","1.035","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305717","14.7594","0.0006","14.7594","0.0006","14.7594","0.0006","90","","90","","90","","3215.2","0.2","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.07 Ca3 Ga6.93 -","- Au12.068 Ca3 Ga6.931 -","- Au96.544 Ca24 Ga55.448 -","8","0.166667","","Qisheng Lin; John D. Corbett","Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium","Inorganic Chemistry","2008","47","","7651","7659","10.1021/ic800694j","","","0.71073","MoKα","","0.0505","0.0443","","","0.1118","0.1153","","","","","","1.052","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4307186","11.7697","0.0011","11.7697","0.0011","11.7697","0.0011","90","","90","","90","","1630.4","0.3","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","ferric formate","","","- C3.75 H3.5 Fe O7.75 -","- C3.75 H3 Fe O7.75 -","- C30 H24 Fe8 O62 -","8","0.166667","","Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi","CO2 Template Synthesis of Metal Formates with a ReO3 Net","Inorganic Chemistry","2007","46","","1612","1616","10.1021/ic0617240","","","0.71073","MoKα","","0.0824","0.0798","","","0.1792","0.1802","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307187","11.4477","0.0006","11.4477","0.0006","11.4477","0.0006","90","","90","","90","","1500.22","0.14","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","aluminum formate","","","- C3.75 H3.5 Al O7.75 -","- C3.75 H3 Al O7.75 -","- C30 H24 Al8 O62 -","8","0.166667","","Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi","CO2 Template Synthesis of Metal Formates with a ReO3 Net","Inorganic Chemistry","2007","46","","1612","1616","10.1021/ic0617240","","","0.71073","MoKα","","0.0713","0.063","","","0.1763","0.1841","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307188","11.54","0.008","11.54","0.008","11.54","0.008","90","","90","","90","","1536.8","1.8","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","gallium formate","","","- C3.75 H3.5 Ga O7.75 -","- C3.75 H3 Ga O7.75 -","- C30 H24 Ga8 O62 -","8","0.166667","","Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi","CO2 Template Synthesis of Metal Formates with a ReO3 Net","Inorganic Chemistry","2007","46","","1612","1616","10.1021/ic0617240","","","0.71073","MoKα","","0.0501","0.0331","","","0.0726","0.0808","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307189","12.161","0.002","12.161","0.002","12.161","0.002","90","","90","","90","","1798.5","0.5","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","Indium formate","","","- C3.75 H3.5 In O7.75 -","- C3.75 H3 In O7.75 -","- C30 H24 In8 O62 -","8","0.166667","","Yun-Qi Tian; Yu-Ming Zhao; Hai-Jun Xu; Cheng-Yu Chi","CO2 Template Synthesis of Metal Formates with a ReO3 Net","Inorganic Chemistry","2007","46","","1612","1616","10.1021/ic0617240","","","0.71073","MoKα","","0.0666","0.0593","","","0.1378","0.1411","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315490","14.6704","0.001","14.6704","0.001","14.6704","0.001","90","","90","","90","","3157.4","0.4","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.5 Ca3.25 Ge5.5 -","- Au12.5 Ca3.25 Ge5.5 -","- Au100 Ca26 Ge44 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.027","0.0229","","","0.0449","0.0458","","","","","","1.177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315491","14.712","0.0012","14.712","0.0012","14.712","0.0012","90","","90","","90","","3184.3","0.4","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.94 Ca3.25 Ge5.06 -","- Au12.935 Ca3.25 Ge5.065 -","- Au103.48 Ca26 Ge40.52 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0412","0.0355","","","0.0902","0.0931","","","","","","1.117","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315492","14.764","0.005","14.764","0.005","14.764","0.005","90","","90","","90","","3218.2","1.9","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au13.69 Ca3.05 Ge5.31 -","- Au13.694 Ca3.055 Ge5.305 -","- Au109.552 Ca24.44 Ge42.44 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0962","0.0575","","","0.0933","0.1023","","","","","","1.136","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315493","14.8046","0.0012","14.8046","0.0012","14.8046","0.0012","90","","90","","90","","3244.8","0.5","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au14.26 Ca3 Ge4.74 -","- Au14.264 Ca3 Ge4.738 -","- Au114.112 Ca24 Ge37.904 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0437","0.0354","","","0.0729","0.0758","","","","","","1.129","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315494","14.8315","0.0009","14.8315","0.0009","14.8315","0.0009","90","","90","","90","","3262.5","0.3","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au14.52 Ca3 Ge4.48 -","- Au14.516 Ca3 Ge4.486 -","- Au116.128 Ca24 Ge35.888 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0444","0.0398","","","0.0917","0.0941","","","","","","1.187","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315495","14.6843","0.0009","14.6843","0.0009","14.6843","0.0009","90","0.005","90","0.005","90","0.005","3166.4","0.3","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.73 Ca3.25 Ge5.27 -","- Au12.731 Ca3.25 Ge5.269 -","- Au101.848 Ca26 Ge42.152 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71069","MoKα","","0.0337","0.0297","","","0.0641","0.0656","","","","","","1.14","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315496","14.8223","0.0012","14.8223","0.0012","14.8223","0.0012","90","","90","","90","","3256.5","0.5","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au14.39 Ca3 Ge4.61 -","- Au14.393 Ca3 Ge4.606 -","- Au115.144 Ca24 Ge36.848 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0528","0.0475","","","0.122","0.1255","","","","","","1.06","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315497","14.6334","0.0015","14.6334","0.0015","14.6334","0.0015","90","","90","","90","","3133.5","0.6","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au12.5 Ge5.39 Yb3.25 -","- Au12.5 Ge5.39 Yb3.25 -","- Au100 Ge43.12 Yb26 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0555","0.0486","","","0.1251","0.1287","","","","","","1.051","","","","has coordinates","201369","2020-10-21","18:00:00",""
"4315498","14.769","0.002","14.769","0.002","14.769","0.002","90","","90","","90","","3221.5","0.8","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au13.37 Ge5.24 Yb3 -","- Au13.379 Ge5.23 Yb3 -","- Au107.032 Ge41.84 Yb24 -","8","0.166667","","Qisheng Lin; John D. Corbett","M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6-Type Derivatives","Inorganic Chemistry","2010","49","","4570","4577","10.1021/ic100118q","","","0.71073","MoKα","","0.0727","0.0602","","","0.1285","0.1349","","","","","","1.105","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4316109","7.4895","0.0001","7.4895","0.0001","7.4895","0.0001","90","","90","","90","","420.106","0.01","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu3 O12 Pt4 -","- Ca Cu3 O12 Pt4 -","- Ca2 Cu6 O24 Pt8 -","2","0.0416667","","Ikuya Yamada; Yuka Takahashi; Kenya Ohgushi; Norimasa Nishiyama; Ryoji Takahashi; Kohei Wada; Takehiro Kunimoto; Hiroaki Ohfuji; Yohei Kojima; Toru Inoue; Tetsuo Irifune","CaCu3Pt4O12: The First Perovskite with the B Site Fully Occupied by Pt4+","Inorganic Chemistry","2010","49","","6778","6780","10.1021/ic100474x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316350","35.0945","0.0018","35.0945","0.0018","35.0945","0.0018","90","","90","","90","","43223","4","188","2","188","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- Cs36 H864 Li222 O786 U60 -","- Cs36 Li222 O786 U60 -","- Cs72 Li444 O1572 U120 -","2","0.0416667","","May Nyman; Mark A. Rodriguez; Charles F. Campana","Self-Assembly of Alkali-Uranyl-Peroxide Clusters","Inorganic Chemistry","2010","49","","7748","7755","10.1021/ic1005192","","","0.71073","MoKα","","0.0665","0.0632","","","0.1824","0.186","","","","","","1.096","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4317014","15.131","0.001","15.131","0.001","15.131","0.001","90","","90","","90","","3464.2","0.4","293","","293","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au115.29 Ca24 Sn34.81 -","- Au115.288 Ca24 Sn34.808 -","- Au115.288 Ca24 Sn34.808 -","1","0.0208333","","Qisheng Lin; John D. Corbett","Development of an Icosahedral Quasicrystal and Two Approximants in the Ca-Au-Sn System: Syntheses and Structural Analyses","Inorganic Chemistry","2010","49","","10436","10444","10.1021/ic101356n","","","0.71073","MoKα","","0.0665","0.0326","","","0.0576","0.0659","","","","1.27","1.27","1.18","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317236","22.96","0.002","22.96","0.002","22.96","0.002","90","","90","","90","","12103.6","1.8","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- H4 In3 K11.08 O2 Te10.04 -","- In3 K11.0833 O2 Te10.0417 -","- In36 K133 O24 Te120.5 -","12","0.25","","Johanna Heine; Stefanie Dehnen","Aqueous Telluridoindate Chemistry: Water-Soluble Salts of Monomeric, Dimeric, and Trimeric In/Te Anions [InTe4]5-, [In2Te6]6-, and [In3Te10]11-","Inorganic Chemistry","2010","49","","11216","11222","10.1021/ic101881j","","","0.71073","MoKα","","0.1459","0.0709","","","0.1562","0.1702","","","","","","0.818","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4319176","13.9324","0.0014","13.9324","0.0014","13.9324","0.0014","90","","90","","90","","2704.4","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al51.29 Li52 Zn56.71 -","- Al51.36 Li52 Zn56.712 -","- Al51.36 Li52 Zn56.712 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0262","0.0176","","","0.0306","0.0314","","","","","","1.028","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319177","14.1109","0.0017","14.1109","0.0017","14.1109","0.0017","90","","90","","90","","2809.7","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al23 Li20 Mg32 Zn85 -","- Al68.16 Li34.16 Mg17.832 Zn39.984 -","- Al68.16 Li34.16 Mg17.832 Zn39.984 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0274","0.0209","","","0.0414","0.0426","","","","","","1.036","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319178","14.0929","0.0015","14.0929","0.0015","14.0929","0.0015","90","","90","","90","","2799","0.5","298","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al68.78 Li32.16 Mg19.84 Zn39.22 -","- Al69.12 Li32 Mg19.816 Zn39.192 -","- Al69.12 Li32 Mg19.816 Zn39.192 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0381","0.0224","","","0.0307","0.0322","","","","","","0.948","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319179","14.1008","0.0018","14.1008","0.0018","14.1008","0.0018","90","","90","","90","","2803.7","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al69 Li34 Mg18 Zn39 -","- Al69.36 Li33.84 Mg18.272 Zn38.712 -","- Al69.36 Li33.84 Mg18.272 Zn38.712 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0301","0.019","","","0.0314","0.033","","","","","","1.011","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319180","14.105","0.0017","14.105","0.0017","14.105","0.0017","90","","90","","90","","2806.2","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al50.67 Li32.84 Mg19.16 Zn57.33 -","- Al50.64 Li32.88 Mg19.16 Zn57.336 -","- Al50.64 Li32.88 Mg19.16 Zn57.336 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0178","0.0157","","","0.0385","0.0392","","","","","","1.051","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319181","13.936","0.003","13.936","0.003","13.936","0.003","90","","90","","90","","2706.5","1","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al69 Li32 Mg20 Zn39 -","- Al24.84 Li24.32 Mg27.664 Zn83.29 -","- Al24.84 Li24.32 Mg27.664 Zn83.29 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0531","0.0269","","","0.0367","0.0393","","","","","","0.977","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319182","14.007","0.0018","14.007","0.0018","14.007","0.0018","90","","90","","90","","2748.1","0.6","571","2","571","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al54 Li52 Zn54 -","- Al80.88 Li52 Zn27.096 -","- Al80.88 Li52 Zn27.096 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0289","0.0229","","","0.052","0.0533","","","","","","1.054","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319183","13.9609","0.0015","13.9609","0.0015","13.9609","0.0015","90","","90","","90","","2721.1","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al62.25 Li52 Zn45.75 -","- Al62.16 Li52 Zn45.744 -","- Al62.16 Li52 Zn45.744 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0277","0.0199","","","0.0367","0.0374","","","","","","1.087","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319184","13.9544","0.0018","13.9544","0.0018","13.9544","0.0018","90","","90","","90","","2717.3","0.6","298","2","298","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al28.4 Li26 Zn25.6 -","- Al28.32 Li26 Zn25.596 -","- Al56.64 Li52 Zn51.192 -","2","0.0416667","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0421","0.0262","","","0.0453","0.0474","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323607","15.992","0.002","15.992","0.002","15.992","0.002","90","","90","","90","","4089.9","0.9","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd20.09 Na13 Pb6.91 -","- Cd20.088 Na13 Pb6.912 -","- Cd80.352 Na52 Pb27.648 -","4","0.0833333","","Evgeny Todorov; Slavi C. Sevov","Synthesis, Characterization, and Bonding of Heteroatomic Clusters: Na13Cd20E7 (E = Pb, Sn), a Further Example of a Structure Containing Empty Icosahedra without an Element of Group 13","Inorganic Chemistry","1997","36","","4298","4302","10.1021/ic970588j","","","0.71073","MoKα","","0.0634","0.0315","","0.0588","0.0479","","","","1.129","1.119","1.119","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4325235","26.816","0.003","26.816","0.003","26.816","0.003","90","","90","","90","","19283","4","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C40 H24 N3 Ni2 O9 -","- C40 H24 N3 Ni2 O9 -","- C480 H288 N36 Ni24 O108 -","12","0.25","","Palanikumar Maniam; Norbert Stock","Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods","Inorganic Chemistry","2011","50","","5085","5097","10.1021/ic200381f","","","0.71073","MoKα","","0.0826","0.0762","","","0.2393","0.2468","","","","","","1.117","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4327264","7.384719","0.000021","7.384719","","7.384719","","90","","90","","90","","402.719","0.0011","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu2.5 Na O12 Ti4.5 -","- Cu2.49999 Na O12 Ti4.50001 -","- Cu4.99998 Na2 O24 Ti9.00002 -","2","0.0416667","","Maxim Avdeev; Vladimir B. Nalbandyan","New Cubic Perovskite Na(Cu2.5Ti0.5)Ti4O12 with Square Planar Coordination of Ti4+","Inorganic Chemistry","2006","45","","2217","2220","10.1021/ic051413+","powder diffraction","","","","","","","","","","","","","1.7","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328394","40.554","0.004","40.554","0.004","40.554","0.004","90","","90","","90","","66696","11","100","2","100","2","","","","","","","","4","I m -3","-I 2 2 3","204","U120Ox90","","","- C180 K128 O998 U120 -","- C180 K128 O998 U120 -","- C360 K256 O1996 U240 -","2","0.0416667","","Jie Ling; Jie Qiu; Peter C. Burns","Uranyl Peroxide Oxalate Cage and Core-Shell Clusters Containing 50 and 120 Uranyl Ions","Inorganic Chemistry","2012","51","","2403","2408","10.1021/ic202380g","","","0.71073","MoKα","","0.0912","0.0696","","","0.2384","0.2588","","","","","","2.129","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328469","28.953","0.004","28.953","0.004","28.953","0.004","90","","90","","90","","24271","6","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C135 H158 Cl18 N16 Ti2 -","- C135 H158 Cl18 N16 Ti2 -","- C810 H948 Cl108 N96 Ti12 -","6","0.125","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.1472","0.0613","","","0.1399","0.1601","","","","","","0.715","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4330035","14.512","0.0017","14.512","0.0017","14.512","0.0017","90","","90","","90","","3056.2","0.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au18.1 Ga35.9 Na26 -","- Au18.096 Ga35.904 Na26 -","- Au36.192 Ga71.808 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0555","0.0369","","","0.0578","0.0622","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330036","14.597","0.0017","14.597","0.0017","14.597","0.0017","90","","90","","90","","3110.2","0.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au35.97 Ga19.03 Na26 -","- Au35.982 Ga19.018 Na26 -","- Au71.964 Ga38.036 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0381","0.0289","","","0.0589","0.0626","","","","","","1.068","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330037","14.581","0.002","14.581","0.002","14.581","0.002","90","","90","","90","","3100","0.7","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au40.93 Ge14.07 Na26 -","- Au40.93 Ge14.07 Na26 -","- Au81.86 Ge28.14 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0504","0.0329","","","0.0585","0.0619","","","","","","1.11","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330038","15.009","0.007","15.009","0.007","15.009","0.007","90","","90","","90","","3381","3","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au39.83 Na26 Sn15.17 -","- Au39.832 Na26 Sn15.168 -","- Au79.664 Na52 Sn30.336 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0382","0.0324","","","0.065","0.0673","","","","","","1.084","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330039","14.492","0.0017","14.492","0.0017","14.492","0.0017","90","","90","","90","","3043.6","0.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au19.53 Ga34.47 Na26 -","- Au19.536 Ga34.464 Na26 -","- Au39.072 Ga68.928 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0634","0.039","","","0.0698","0.0774","","","","","","1.022","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330040","14.5925","0.0018","14.5925","0.0018","14.5925","0.0018","90","","90","","90","","3107.3","0.7","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au35.17 Ga19.83 Na26 -","- Au35.166 Ga19.834 Na26 -","- Au70.332 Ga39.668 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.058","0.0335","","","0.0704","0.0782","","","","","","1.016","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330041","15.0194","0.001","15.0194","0.001","15.0194","0.001","90","","90","","90","","3388.1","0.4","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au38.54 Na26 Sn13.45 -","- Au38.548 Na26 Sn13.452 -","- Au77.096 Na52 Sn26.904 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0314","0.023","","","0.0445","0.0468","","","","","","1.055","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4333753","7.4978","0.0001","7.4978","0.0001","7.4978","0.0001","90","","90","","90","","421.504","0.01","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca O12 Pd3 Ti4 -","- Ca O12 Pd3 Ti4 -","- Ca2 O24 Pd6 Ti8 -","2","0.0416667","","Kentaro Shiro; Ikuya Yamada; Naoya Ikeda; Kenya Ohgushi; Masaichiro Mizumaki; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","Pd2±Incorporated Perovskite CaPd3B4O12 (B= Ti, V)","Inorganic Chemistry","2013","52","","1604","1609","10.1021/ic3025155","powder diffraction","","0.51764","","","0.01761","","","","","","0.03137","0.03432","1.3015","","","","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333754","7.40317","0.00008","7.40317","0.00008","7.40317","0.00008","90","","90","","90","","405.745","0.008","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca O12 Pd3 V4 -","- Ca O12 Pd3 V4 -","- Ca2 O24 Pd6 V8 -","2","0.0416667","","Kentaro Shiro; Ikuya Yamada; Naoya Ikeda; Kenya Ohgushi; Masaichiro Mizumaki; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","Pd2±Incorporated Perovskite CaPd3B4O12 (B= Ti, V)","Inorganic Chemistry","2013","52","","1604","1609","10.1021/ic3025155","powder diffraction","","0.51764","","","0.00748","","","","","","0.00815","0.02046","1.6305","","","","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4334350","7.5405","0.0001","7.5405","0.0001","7.5405","0.0001","90","","90","","90","","428.746","0.01","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 La O12 Pt3.73229 -","- Cu3 La O12 Pt3.732 -","- Cu6 La2 O24 Pt7.464 -","2","0.0416667","","Mikiko Ochi; Ikuya Yamada; Kenya Ohgushi; Yoshihiro Kusano; Masaichiro Mizumaki; Ryoji Takahashi; Shunsuke Yagi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","B-Site Deficiencies in A-site-Ordered Perovskite LaCu3Pt3.75O12","Inorganic Chemistry","2013","52","","3985","3989","10.1021/ic302809v","powder diffraction","","0.51852","","","0.01784","","","","","","0.02014","0.02901","1.243","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334475","29.5","0.004","29.5","0.004","29.5","0.004","90","","90","","90","","25672","6","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C77 H91 Cl9 Mo N9 -","- C77 H91 Cl9 Mo N9 -","- C924 H1092 Cl108 Mo12 N108 -","12","0.25","","Elisabeth Seikel; Benjamin Oelkers; Olaf Burghaus; Jörg Sundermeyer","Soluble Molybdenum(V) Imido Phthalocyanines and Pyrazinoporphyrazines: Crystal Structure, UV-vis and Electron Paramagnetic Resonance Spectroscopic Studies","Inorganic Chemistry","2013","52","","4451","4457","10.1021/ic3026914","","","0.71073","MoKα","","0.1448","0.0561","","","0.1226","0.1386","","","","","","0.667","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4336319","7.2668","0.0001","7.2668","0.0001","7.2668","0.0001","90","","90","","90","","383.733","0.009","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Mn O12 V4 -","- Cu3 Mn O12 V4 -","- Cu6 Mn2 O24 V8 -","2","0.0416667","","Yasuhide Akizuki; Ikuya Yamada; Koji Fujita; Norimasa Nishiyama; Tetuo Irifune; Takeshi Yajima; Hiroshi Kageyama; Katsuhisa Tanaka","A-Site-Ordered Perovskite MnCu3V4O12 with a 12-Coordinated Manganese(II)","Inorganic Chemistry","2013","52","","11538","11543","10.1021/ic401855j","powder diffraction","","0.51897","","","0.01911","","","","","","0.02591","0.03255","0.817","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336320","7.2547","0.0001","7.2547","0.0001","7.2547","0.0001","90","","90","","90","","381.82","0.009","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Mn O12 V4 -","- Cu3 Mn O12 V4 -","- Cu6 Mn2 O24 V8 -","2","0.0416667","","Yasuhide Akizuki; Ikuya Yamada; Koji Fujita; Norimasa Nishiyama; Tetuo Irifune; Takeshi Yajima; Hiroshi Kageyama; Katsuhisa Tanaka","A-Site-Ordered Perovskite MnCu3V4O12 with a 12-Coordinated Manganese(II)","Inorganic Chemistry","2013","52","","11538","11543","10.1021/ic401855j","powder diffraction","","0.51897","","","0.02652","","","","","","0.03108","0.03771","0.9633","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336389","7.34285","0.00005","7.34285","","7.34285","","90","","90","","90","","395.908","0.003","298","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","Calcium Cobalt Vanadium Oxide","","","- Ca Co3 O12 V4 -","- Ca Co3 O12 V4 -","- Ca2 Co6 O24 V8 -","2","0.0416667","","Sergey V. Ovsyannikov; Yury G. Zainulin; Nadezda I. Kadyrova; Alexander P. Tyutyunnik; Anna S. Semenova; Deepa Kasinathan; Alexander A. Tsirlin; Nobuyoshi Miyajima; Alexander E. Karkin","New Antiferromagnetic Perovskite CaCo3V4O12 Prepared at High-Pressure and High-Temperature Conditions","Inorganic Chemistry","2013","52","","11703","11710","10.1021/ic400649h","powder diffraction","x-ray","1.54056","CuK~a~1","","","","","","","","0.04105","","1.06","","","","","","","has coordinates,has Fobs","179466","2020-10-21","18:00:00",""
"4336909","7.42008","0.00006","7.42008","0.00006","7.42008","0.00006","90","","90","","90","","408.532","0.006","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 La O12 -","- Cu3 Fe4 La O12 -","- Cu6 Fe8 La2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00916","","","","","","0.00874","0.01172","1.0162","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336910","7.39474","0.00007","7.39474","0.00007","7.39474","0.00007","90","","90","","90","","404.361","0.007","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Pr -","- Cu3 Fe4 O12 Pr -","- Cu6 Fe8 O24 Pr2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00919","","","","","","0.007","0.0125","1.0585","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336911","7.38247","0.00006","7.38247","0.00006","7.38247","0.00006","90","","90","","90","","402.351","0.006","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Nd O12 -","- Cu3 Fe4 Nd O12 -","- Cu6 Fe8 Nd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.01088","","","","","","0.0043","0.0182","1.1132","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336912","7.37561","0.00006","7.37561","0.00006","7.37561","0.00006","90","","90","","90","","401.23","0.006","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Sm -","- Cu3 Fe4 O12 Sm -","- Cu6 Fe8 O24 Sm2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.00748","","","","","","0.00367","0.01052","1.064","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336913","7.37306","0.00008","7.37306","0.00008","7.37306","0.00008","90","","90","","90","","400.814","0.008","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Eu Fe4 O12 -","- Cu3 Eu Fe4 O12 -","- Cu6 Eu2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.0094","","","","","","0.00861","0.01455","1.1247","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336914","7.37144","0.00009","7.37144","0.00009","7.37144","0.00009","90","","90","","90","","400.55","0.008","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Gd O12 -","- Cu3 Fe4 Gd O12 -","- Cu6 Fe8 Gd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.00646","","","","","","0.00648","0.01105","0.9849","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336915","7.36687","0.00008","7.36687","0.00008","7.36687","0.00008","90","","90","","90","","399.806","0.008","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Tb -","- Cu3 Fe4 O12 Tb -","- Cu6 Fe8 O24 Tb2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00685","","","","","","0.0067","0.01275","0.9567","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336922","7.42874","0.00006","7.42874","0.00006","7.42874","0.00006","90","","90","","90","","409.964","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 La O12 -","- Cu3 Fe4 La O12 -","- Cu6 Fe8 La2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00987","","","","","","0.00996","0.01372","1.0522","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336923","7.40361","0.00007","7.40361","0.00007","7.40361","0.00007","90","","90","","90","","405.817","0.007","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Pr -","- Cu3 Fe4 O12 Pr -","- Cu6 Fe8 O24 Pr2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.01036","","","","","","0.01103","0.01362","1.0636","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336924","7.34783","0.00006","7.34783","0.00006","7.34783","0.00006","90","","90","","90","","396.714","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Nd O12 -","- Cu3 Fe4 Nd O12 -","- Cu6 Fe8 Nd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.01317","","","","","","0.0143","0.01829","1.0819","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336925","7.33892","0.00006","7.33892","0.00006","7.33892","0.00006","90","","90","","90","","395.272","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Sm -","- Cu3 Fe4 O12 Sm -","- Cu6 Fe8 O24 Sm2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.00977","","","","","","0.00898","0.01375","1.0763","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336926","7.33641","0.00008","7.33641","0.00008","7.33641","0.00008","90","","90","","90","","394.867","0.007","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Eu Fe4 O12 -","- Cu3 Eu Fe4 O12 -","- Cu6 Eu2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.01288","","","","","","0.01253","0.01992","1.0509","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336927","7.33184","0.00009","7.33184","0.00009","7.33184","0.00009","90","","90","","90","","394.129","0.008","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Gd O12 -","- Cu3 Fe4 Gd O12 -","- Cu6 Fe8 Gd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.01033","","","","","","0.01018","0.01703","0.9679","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336928","7.32212","0.00006","7.32212","0.00006","7.32212","0.00006","90","","90","","90","","392.564","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Tb -","- Cu3 Fe4 O12 Tb -","- Cu6 Fe8 O24 Tb2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00725","","","","","","0.00646","0.01028","0.9539","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336929","7.31441","0.00005","7.31441","0.00005","7.31441","0.00005","90","","90","","90","","391.325","0.005","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Dy Fe4 O12 -","- Cu3 Dy Fe4 O12 -","- Cu6 Dy2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00826","","","","","","0.00755","0.01039","0.9285","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336930","7.31337","0.00006","7.31337","0.00006","7.31337","0.00006","90","","90","","90","","391.158","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Ho O12 -","- Cu3 Fe4 Ho O12 -","- Cu6 Fe8 Ho2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.0092","","","","","","0.00843","0.0144","0.9238","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336931","7.31041","0.00006","7.31041","0.00006","7.31041","0.00006","90","","90","","90","","390.684","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Er Fe4 O12 -","- Cu3 Er Fe4 O12 -","- Cu6 Er2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.01091","","","","","","0.01007","0.01883","0.9938","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336932","7.3093","0.00007","7.3093","0.00007","7.3093","0.00007","90","","90","","90","","390.506","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Tm -","- Cu3 Fe4 O12 Tm -","- Cu6 Fe8 O24 Tm2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00755","","","","","","0.00688","0.01435","1.0662","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336933","7.30638","0.00006","7.30638","0.00006","7.30638","0.00006","90","","90","","90","","390.038","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Yb -","- Cu3 Fe4 O12 Yb -","- Cu6 Fe8 O24 Yb2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00783","","","","","","0.00732","0.01339","0.9766","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336934","7.30335","0.00006","7.30335","0.00006","7.30335","0.00006","90","","90","","90","","389.553","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Lu O12 -","- Cu3 Fe4 Lu O12 -","- Cu6 Fe8 Lu2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00586","","","","","","0.00581","0.01245","0.8868","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4337057","7.27904","0.00007","7.27904","0.00007","7.27904","0.00007","90","","90","","90","","385.676","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ag Cu3 O12 V4 -","- Ag Cu3 O12 V4 -","- Ag2 Cu6 O24 V8 -","2","0.0416667","","Yasuhide Akizuki; Ikuya Yamada; Koji Fujita; Hirofumi Akamatsu; Tetsuo Irifune; Katsuhisa Tanaka","AgCu3V4O12: a Novel Perovskite Containing Mixed-Valence Silver ions","Inorganic Chemistry","2013","52","","13824","13826","10.1021/ic402579v","powder diffraction","","0.49942","","","0.01932","","","","","","0.01934","0.02626","0.8098","","","","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4339068","23.133","0.0011","23.133","0.0011","23.133","0.0011","90","","90","","90","","12379.3","1","293","2","293","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H187 N36 Ni4 O171 P3 W36 -","- C144 H120 N36 Ni4 O171 P3 W36 -","- C288 H240 N72 Ni8 O342 P6 W72 -","2","0.0416667","","Wei, Meilin; He, Cheng; Sun, Qiaozhen; Meng, Qingjin; Duan, Chunying","Zeolite ionic crystals assembled through direct incorporation of polyoxometalate clusters within 3D metal-organic frameworks.","Inorganic chemistry","2007","46","15","5957","5966","10.1021/ic070274o","","","0.71073","MoKα","","0.094","0.0743","","","0.2362","0.2498","","","","","","1.02","","","","has coordinates,has disorder","179493","2020-10-21","18:00:00",""
"4340355","7.39267","0.00005","7.39267","0.00005","7.39267","0.00005","90","","90","","90","","404.021","","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu3 O12 Rh4 -","- Ca Cu3 O12 Rh4 -","- Ca2 Cu6 O24 Rh8 -","2","0.0416667","","Yamada, Ikuya; Ochi, Mikiko; Mizumaki, Masaichiro; Hariki, Atsushi; Uozumi, Takayuki; Takahashi, Ryoji; Irifune, Tetsuo","High-Pressure Synthesis, Crystal Structure, and Unusual Valence State of Novel Perovskite Oxide CaCu3Rh4O12.","Inorganic chemistry","2014","53","14","7089","7091","10.1021/ic501341x","powder diffraction","","0.77378","","","0.00787","","","","","","0.01604","0.01344","1.115","","","","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4341440","11.1447","0.0007","11.1447","0.0007","11.1447","0.0007","90","","90","","90","","1384.22","0.15","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C18 H4 Ba12 In -","- C18 H4 Ba12 In -","- C36 H8 Ba24 In2 -","2","0.0416667","","Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.","Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).","Inorganic chemistry","2015","54","3","914","921","10.1021/ic502315m","","","0.71073","MoKα","","0.0178","0.0178","","","0.0447","0.0447","","","","","","1.272","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341441","9.6055","0.0008","9.6055","0.0008","9.6055","0.0008","90","","90","","90","","886.26","0.13","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C11.7 H0 Ca12 In -","- C11.7 Ca12 In -","- C23.4 Ca24 In2 -","2","0.0416667","","Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.","Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).","Inorganic chemistry","2015","54","3","914","921","10.1021/ic502315m","","","0.71073","MoKα","","0.026","0.0199","","","0.0382","0.0397","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341442","9.6055","0.0008","9.6055","0.0008","9.6055","0.0008","90","","90","","90","","886.26","0.13","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C11.45 H1.55 Ca12 In -","- C11.44 H1.56 Ca12 In -","- C22.88 H3.12 Ca24 In2 -","2","0.0416667","","Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.","Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).","Inorganic chemistry","2015","54","3","914","921","10.1021/ic502315m","","","0.71073","MoKα","","0.0259","0.0198","","","0.0381","0.0396","","","","","","1.089","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4344155","15.874","","15.874","","15.874","","90","","90","","90","","3999.99","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na13 (Cd20.42 Tl6.58)","","- Cd20.42 Na13 Tl6.58 -","- Cd20.418 Na13 Tl6.582 -","- Cd81.672 Na52 Tl26.328 -","4","0.0833333","","Li Bin; Corbett, J.D.","Synthesis, structure and characterization of a cubic thallium cluster phase of the Bergman type, Na13 (Cd0.7 Tl0.3)27","Inorganic Chemistry","2004","43","","3582","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","158750","2020-10-21","18:00:00",""
"4344156","15.9121","","15.9121","","15.9121","","90","","90","","90","","4028.86","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na13 (Cd19.25 Tl7.75)","","- Cd19.25 Na13 Tl7.75 -","- Cd19.254 Na13 Tl7.746 -","- Cd77.016 Na52 Tl30.984 -","4","0.0833333","","Li Bin; Corbett, J.D.","Synthesis, structure and characterization of a cubic thallium cluster phase of the Bergman type, Na13 (Cd0.7 Tl0.3)27","Inorganic Chemistry","2004","43","","3582","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","158754","2020-10-21","18:00:00",""
"4344157","15.987","","15.987","","15.987","","90","","90","","90","","4086.02","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na13 (Cd18.06 Tl8.94)","","- Cd18.06 Na13 Tl8.94 -","- Cd18.06 Na13 Tl8.94 -","- Cd72.24 Na52 Tl35.76 -","4","0.0833333","","Li Bin; Corbett, J.D.","Synthesis, structure and characterization of a cubic thallium cluster phase of the Bergman type, Na13 (Cd0.7 Tl0.3)27","Inorganic Chemistry","2004","43","","3582","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","158757","2020-10-21","18:00:00",""
"4344178","9.325","","9.325","","9.325","","90","","90","","90","","810.861","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Ru Sb3.143 -","- Ru Sb3.1425 -","- Ru8 Sb25.14 -","8","0.166667","","Smalley, A.L.E.; Johnson, S.C.; Jespersen, M.L.","Synthesis and structural evolution of Ru Sb3, a new metastable skutterudite compound","Inorganic Chemistry","2004","43","","2486","2490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344181","13.8311","","13.8311","","13.8311","","90","","90","","90","","2645.88","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Sc3 Zn18 -","- Sc3 Zn17.999 -","- Sc24 Zn143.992 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effects and Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344182","13.7923","","13.7923","","13.7923","","90","","90","","90","","2623.68","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc3 (Cu0.66 Zn2.34) Zn15","","- Cu0.66 Sc3 Zn17.34 -","- Cu0.66 Sc3 Zn17.339 -","- Cu5.28 Sc24 Zn138.712 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effects and Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","160364","2020-10-21","18:00:00",""
"4344183","13.7598","","13.7598","","13.7598","","90","","90","","90","","2605.17","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc3 (Cu1.486 Zn1.514) Zn15","","- Cu1.486 Sc3 Zn16.514 -","- Cu1.485 Sc3 Zn16.514 -","- Cu11.88 Sc24 Zn132.112 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effects and Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","160365","2020-10-21","18:00:00",""
"4344184","13.7528","","13.7528","","13.7528","","90","","90","","90","","2601.2","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc3 (Cu2.19 Zn0.81) Zn15.25","","- Cu2.19 Sc3 Zn16.06 -","- Cu2.19 Sc3 Zn16.049 -","- Cu17.52 Sc24 Zn128.392 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effectsand Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","160366","2020-10-21","18:00:00",""
"4344869","7.29481","0.00006","7.29481","0.00006","7.29481","0.00006","90","","90","","90","","388.188","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu2.79 Fe4.21 O12 -","- Ca Cu2.79 Fe4.21 O12 -","- Ca2 Cu5.58 Fe8.42 O24 -","2","0.0416667","","Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo","Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.","Inorganic chemistry","2016","55","4","1715","1719","10.1021/acs.inorgchem.5b02623","powder diffraction","","0.41981","","","0.01541","","","","","","0.01542","0.02193","0.9247","","","","","","","has coordinates","177191","2020-10-21","18:00:00",""
"4346109","26.7674","0.0005","26.7674","0.0005","26.7674","0.0005","90","","90","","90","","19178.7","0.6","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C34 H22 N4 Ni3 O14 S2 -","- C34 H22 N4 Ni3 O14 S2 -","- C408 H264 N48 Ni36 O168 S24 -","12","0.25","","Li, Jia; Fu, Hong-Ru; Zhang, Jian; Zheng, Lan-Sun; Tao, Jun","Anionic metal-organic framework for adsorption and separation of light hydrocarbons.","Inorganic chemistry","2015","54","7","3093","3095","10.1021/acs.inorgchem.5b00316","","","1.54178","CuKα","","0.1279","0.1055","","","0.2637","0.2833","","","","","","1.321","","","","has coordinates","231620","2020-10-21","18:00:00",""
"4347908","26.9719","0.0001","26.9719","0.0001","26.9719","0.0001","90","","90","","90","","19621.6","0.13","294","2","294","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C73 H41 Dy2 O18 -","- C73 H41 Dy2 O18 -","- C438 H246 Dy12 O108 -","6","0.125","","Wang, Xi; Chen, Min; Du, Miao","A Clear Insight into the Distinguishing CO2 Capture by Two Isostructural Dy(III)-Carboxylate Coordination Frameworks.","Inorganic chemistry","2016","55","13","6352","6354","10.1021/acs.inorgchem.6b00760","","","1.54178","CuKα","","0.0702","0.0605","","","0.1954","0.205","","","","","","1.049","","","","has coordinates","232580","2020-10-21","18:00:00",""
"4347909","26.6258","0.0002","26.6258","0.0002","26.6258","0.0002","90","","90","","90","","18875.9","0.2","294","2","294","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C65 H33 Dy2 N8 O18 -","- C65 H33 Dy2 N8 O18 -","- C390 H198 Dy12 N48 O108 -","6","0.125","","Wang, Xi; Chen, Min; Du, Miao","A Clear Insight into the Distinguishing CO2 Capture by Two Isostructural Dy(III)-Carboxylate Coordination Frameworks.","Inorganic chemistry","2016","55","13","6352","6354","10.1021/acs.inorgchem.6b00760","","","0.71073","MoKα","","0.0394","0.0304","","","0.1088","0.113","","","","","","1.034","","","","has coordinates","232580","2020-10-21","18:00:00",""
"4348550","30.062","0.005","30.062","0.005","30.062","0.005","90","","90","","90","","27168","8","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C89.5 H119 Cl4 N11 O71.5 V20 -","- C64 H32 Cl4 O68 V20 -","- C384 H192 Cl24 O408 V120 -","6","0.125","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.0857","0.0513","","","0.1512","0.1987","","","","","","0.997","","","","has coordinates","233074","2020-10-21","18:00:00",""
"4349604","23.5208","0.0017","23.5208","0.0017","23.5208","0.0017","90","","90","","90","","13012.4","1.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cu32 Ge24 Se76 -","- Cu32 Ge24 Se76 -","- Cu64 Ge48 Se152 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.122","0.0771","","","0.1782","0.1987","","","","","","1.086","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349605","24.0523","0.0005","24.0523","0.0005","24.0523","0.0005","90","","90","","90","","13914.6","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","CuSnSe","","","- Cu32 Se76 Sn24 -","- Cu32 Se76 Sn24 -","- Cu64 Se152 Sn48 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.113","0.061","","","0.1658","0.1789","","","","","","0.985","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349606","22.7454","0.0006","22.7454","0.0006","22.7454","0.0006","90","","90","","90","","11767.4","0.5","273","2","273","2","","","","","","","","8","I m -3","-I 2 2 3","204","1c","","","- C12 H Cl3 Cu32 Ge24 N12 Ni6 S72 -","- C12 Cl3 Cu32 Ge24 N12 Ni6 S72 -","- C24 Cl6 Cu64 Ge48 N24 Ni12 S144 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.0955","0.0782","","","0.2023","0.2156","","","","","","1.056","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4500547","26.3861","0.0003","26.3861","0.0003","26.3861","0.0003","90","","90","","90","","18370.7","0.4","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H42 Co2 O49 P3 U6 -","- C6 H6 Co2 O47.375 P3 U6 -","- C96 H96 Co32 O758 P48 U96 -","16","0.333333","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0209","0.0176","","","0.042","0.0429","","","","","","1.076","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500697","26.4013","0.0004","26.4013","0.0004","26.4013","0.0004","90","","90","","90","","18402.5","0.5","100","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H6 Mn2 O47.3 P3 U6 -","- C6 H6 Mn2 O47.3 P3 U6 -","- C96 H96 Mn32 O756.8 P48 U96 -","16","0.333333","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0218","0.0185","","","0.04","0.0411","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509100","21.3548","0.0017","21.3548","0.0017","21.3548","0.0017","90","","90","","90","","9738.4","1.3","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C162 H174 Co9 N72 O48 -","- C162 H174 Co9 N72 O48 -","- C324 H348 Co18 N144 O96 -","2","0.0416667","","Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Architecture of Hydrogen-Bonded Three-Dimensional NbO Net Based on Hydrogen Carbonate or Trimesic Acid Using a Hydrophobic, Predesigned, Cubic Cation [Co(H2O)6⊂Co8L12] as a Template","Crystal Growth & Design","2009","9","1","546","","10.1021/cg800852d","","","0.71073","MoKα","","0.089","0.0658","","","0.1925","0.2115","","","","","","1.012","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4512274","35.1544","0.0003","35.1544","0.0003","35.1544","0.0003","90","","90","","90","","43444.9","0.6","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C40 H22 N4 O20 Zn6 -","- C39.999 H22 N4 O20 Zn6 -","- C959.976 H528 N96 O480 Zn144 -","24","0.5","","Wang, Fei; Fu, Hong-Ru; Hou, Duan-Chuan; Zhang, Jian","Assembly of Four Kinds of Cages into Porous Metal‒Organic Framework for Selective Sorption of Light Hydrocarbons","Crystal Growth & Design","2014","14","12","6467","","10.1021/cg5013318","","","0.71073","MoKα","","0.083","0.0564","","","0.1618","0.1739","","","","","","1.033","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4516749","12.3053","0.0009","12.3053","0.0009","12.3053","0.0009","90","","90","","90","","1863.3","0.2","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","MAPbI3","","","- C H6 I3 N Pb -","- C I3 N1.00005 Pb -","- C8 I24 N8.0004 Pb8 -","8","0.166667","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.1138","0.0949","","","0.2824","0.3255","","","","","","1.145","","","","has coordinates","239508","2020-10-21","18:00:00",""
"4516750","11.5","0.005","11.5","0.005","11.5","0.005","90","","90","","90","","1520.9","1.1","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C H6 Br3 N Pb -","- C0.9999 Br3 N0.9999 Pb -","- C7.9992 Br24 N7.9992 Pb8 -","8","0.166667","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.0891","0.0607","","","0.1562","0.1765","","","","","","1.197","","","","has coordinates","239509","2020-10-21","18:00:00",""
"7008005","31.459","0.0006","31.459","0.0006","31.459","0.0006","90","","90","","90","","31134","1","143","2","143","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C76 H164 Au6 B1.67 F6.67 P8 S -","- C76 H164 Au6 B1.66667 F6.64 P8 S -","- C912 H1968 Au72 B20 F79.68 P96 S12 -","12","0.25","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0538","0.0521","","","0.1138","0.1148","","","","","","1.249","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7022942","40.4133","0.0008","40.4133","0.0008","40.4133","0.0008","90","","90","","90","","66004","2","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C82 H156 Cl12 Fe14 N34 O28 -","- C28 H75 Cl12 Fe14 N7 O28 -","- C672 H1800 Cl288 Fe336 N168 O672 -","24","0.5","","Ako, Ayuk M.; Lan, Yanhua; Mereacre, Valeriu; Ruiz, Eliseo; Aravena, Daniel; Anson, Christopher E.; Powell, Annie K.","Spins on a curved surface: an Fe(III)14 ferracalixarene.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9606","9612","10.1039/c3dt50345c","","","0.71073","MoKα","","0.052","0.0438","","","0.1258","0.1304","","","","","","1.034","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7036838","38.3513","0.0017","38.3513","","38.3513","","90","","90","","90","","56408","3","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C58 H94 N7 O43 Sm3 -","- C50 H36 N4 O23 Sm3 -","- C1200 H864 N96 O552 Sm72 -","24","0.5","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0756","0.0577","","","0.1479","0.1699","","","","","","1.079","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7037404","12.4754","0.0006","12.4754","0.0006","12.4754","0.0006","90","","90","","90","","1941.62","0.16","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C H6 Cl Dy3 O9 -","- C H6 Cl1.005 Dy3 O9 -","- C8 H48 Cl8.04 Dy24 O72 -","8","0.166667","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.0401","0.0395","","","0.1005","0.101","","","","","","0.989","","","","has coordinates","176048","2020-10-21","18:00:00",""
"7039602","9.2083","0.0002","9.2083","0.0002","9.2083","0.0002","90","","90","","90","","780.8","0.03","298","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.98 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0199","0.0192","","","0.0467","0.047","","","","","","1.18","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039603","9.1791","0.0002","9.1791","0.0002","9.1791","0.0002","90","","90","","90","","773.39","0.03","100","2","100","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.57 Ni8 Sb16.32 Sn7.68 -","- Ba1.566 Ni8 Sb16.32 Sn7.68 -","- Ba1.566 Ni8 Sb16.32 Sn7.68 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0196","0.0174","","","0.0322","0.0328","","","","","","1.181","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039604","9.1995","0.0002","9.1995","0.0002","9.1995","0.0002","90","","90","","90","","778.56","0.03","300","2","300","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.57 Ni8 Sb16.32 Sn7.68 -","- Ba1.556 Ni8 Sb16.32 Sn7.68 -","- Ba1.556 Ni8 Sb16.32 Sn7.68 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0223","0.0192","","","0.0475","0.0485","","","","","","1.134","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039605","9.1961","0.0002","9.1961","0.0002","9.1961","0.0002","90","","90","","90","","777.7","0.03","200","2","200","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.98 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0176","0.017","","","0.0415","0.0416","","","","","","1.324","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039606","9.1854","0.0002","9.1854","0.0002","9.1854","0.0002","90","","90","","90","","774.99","0.03","100","2","100","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.98 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0176","0.0172","","","0.0413","0.0414","","","","","","1.422","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039607","9.1887","0.0002","9.1887","0.0002","9.1887","0.0002","90","","90","","90","","775.82","0.03","200","2","200","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.57 Ni8 Sb16.32 Sn7.68 -","- Ba1.558 Ni8 Sb16.32 Sn7.68 -","- Ba1.558 Ni8 Sb16.32 Sn7.68 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0204","0.0186","","","0.037","0.0375","","","","","","1.178","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7045409","13.2181","0.0001","13.2181","0.0001","13.2181","0.0001","90","","90","","90","","2309.44","0.03","293","2","293","2","","","","","","","","7","I m -3","-I 2 2 3","204","Dy,Fe,Cr-3d-ICF","","","- Cl6 Cr0.67 Dy14.34 Fe H42 Na O42 -","- Cl6 Cr0.8 Dy14.32 Fe1.2 H42 Na O42 -","- Cl12 Cr1.6 Dy28.64 Fe2.4 H84 Na2 O84 -","2","0.0416667","","Yuan, Long; Huang, Keke; Feng, Wenchun; Li, Baiyan; Hou, Changmin; Ye, Kaiqi; Wu, Xiaofeng; Shi, Zhan; Wang, Shan; Feng, Shouhua","Design and synthesis of metal hydroxide three-dimensional inorganic cationic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3339","3345","10.1039/c8dt00039e","","","0.71073","MoKα","","0.05","0.0434","","","0.0867","0.0895","","","","","","1.02","","","","has coordinates,has disorder","229241","2020-10-21","18:00:00",""
"7105729","26.3861","0.0003","26.3861","0.0003","26.3861","0.0003","90","","90","","90","","18370.7","0.4","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H42 Co2 O49 P3 U6 -","- C6 H6 Co2 O47.375 P3 U6 -","- C96 H96 Co32 O758 P48 U96 -","16","0.333333","","Andrea Alsobrook; Brad Hauser; Joseph Hupp; Evgeny V.Alekseev; Wulf Depmeier; Thomas Albrecht-Schmitt","Cubic and rhombohedral heterobimetallic networks constructed from uranium, transition metals, and phosphonoacetate: new methods for constructing porous materials","Chem.Commun.","2010","46","","9167","","10.1039/c0cc03507f","","","0.71073","MoKα","","0.0209","0.0176","","","0.042","0.0429","","","","","","1.076","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105730","26.404","0.002","26.404","0.002","26.404","0.002","90","","90","","90","","18408","2","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H42 Cd2 O49 P3 U6 -","- C6 H6 Cd2 O47.25 P3 U6 -","- C96 H96 Cd32 O756 P48 U96 -","16","0.333333","","Andrea Alsobrook; Brad Hauser; Joseph Hupp; Evgeny V.Alekseev; Wulf Depmeier; Thomas Albrecht-Schmitt","Cubic and rhombohedral heterobimetallic networks constructed from uranium, transition metals, and phosphonoacetate: new methods for constructing porous materials","Chem.Commun.","2010","46","","9167","","10.1039/c0cc03507f","","","0.71073","MoKα","","0.033","0.0239","","","0.0531","0.0565","","","","","","1.067","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105731","26.4013","0.0004","26.4013","0.0004","26.4013","0.0004","90","","90","","90","","18402.5","0.5","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H42 Mn2 O49 P3 U6 -","- C6 H6 Mn2 O47.3 P3 U6 -","- C96 H96 Mn32 O756.8 P48 U96 -","16","0.333333","","Andrea Alsobrook; Brad Hauser; Joseph Hupp; Evgeny V.Alekseev; Wulf Depmeier; Thomas Albrecht-Schmitt","Cubic and rhombohedral heterobimetallic networks constructed from uranium, transition metals, and phosphonoacetate: new methods for constructing porous materials","Chem.Commun.","2010","46","","9167","","10.1039/c0cc03507f","","","0.71073","MoKα","","0.0218","0.0185","","","0.04","0.0411","","","","","","1.09","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7113990","26.7517","0.0003","26.7517","0.0003","26.7517","0.0003","90","","90","","90","","19144.9","0.4","147","2","147","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C63 H43.5 N4.5 O12 Zn3 -","- C63 H43.53 N4.5 O12 Zn3 -","- C504 H348.24 N36 O96 Zn24 -","8","0.166667","","Nakeun Ko; Kyungkyou Noh; Siyoung Sung; Hye Jeong Park; Sang Youn Park; Jaheon Kim","Connection of zinc paddle-wheels in a pto-type metal-organic framework with 2-methylimidazolate and subsequent incorporation of charged organic guests","Chem.Commun.","2014","50","","6785","","10.1039/C4CC01501K","","","0.71073","MoKα","","0.0927","0.0536","","","0.1515","0.16","","","","","","0.914","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7115361","37.9826","0.001","37.9826","0.001","37.9826","0.001","90","","90","","90","","54797","2","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H36 Eu3 N4 O23 -","- C50 H36 Eu3 N4 O23 -","- C1200 H864 Eu72 N96 O552 -","24","0.5","","Bo Liu; Wei-Ping Wu; Lei Hou; Yao-Yu Wang","Four uncommon nanocage-based Ln-MOFs: highly selective luminescent sensing for Cu2+ ions and selective CO2 capture","Chem.Commun.","2014","50","","8731","","10.1039/C4cc03049D","","","0.71073","MoKα","","0.1384","0.1332","","","0.3266","0.33","","","","","","1.036","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115362","37.9569","0.0009","37.9569","0.0009","37.9569","0.0009","90","","90","","90","","54686","2","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H36 Gd3 N4 O23 -","- C50 H36 Gd3 N4 O23 -","- C1200 H864 Gd72 N96 O552 -","24","0.5","","Bo Liu; Wei-Ping Wu; Lei Hou; Yao-Yu Wang","Four uncommon nanocage-based Ln-MOFs: highly selective luminescent sensing for Cu2+ ions and selective CO2 capture","Chem.Commun.","2014","50","","8731","","10.1039/C4cc03049D","","","0.71073","MoKα","","0.1377","0.1306","","","0.4069","0.4149","","","","","","1.947","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7121806","25.1402","0.0007","25.1402","0.0007","25.1402","0.0007","90","","90","","90","","15889.4","0.8","100","0.1","100","0.1","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C55 H60 N3 O38.5 Y6 -","- C55.0006 H51.5 N3.0003 O37.5 Y6 -","- C440.005 H412 N24.0024 O300 Y48 -","8","0.166667","","Xue, Dong-Xu; Cadiau, Amandine; Weseliński, Łukasz J.; Jiang, Hao; Bhatt, Prashant M.; Shkurenko, Aleksander; Wojtas, Lukasz; Zhijie, Chen; Belmabkhout, Youssef; Adil, Karim; Eddaoudi, Mohamed","Topology meets MOF chemistry for pore-aperture fine tuning: ftw-MOF platform for energy-efficient separations via adsorption kinetics or molecular sieving","Chemical Communications","2018","","","","","10.1039/C8CC03841D","","","1.54178","CuKα","","0.1496","0.1252","","","0.3101","0.3342","","","","","","1.169","","","","has coordinates,has disorder","208150","2020-10-21","18:00:00",""
"7209419","14.89","","14.89","","14.89","","90","","90","","90","","3301.29","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au39 Na30 Sn12 -","- Au38.98 Na30.02 Sn12 -","- Au77.96 Na60.04 Sn24 -","2","0.0416667","","Schuster, H.U.; Seelentag, W.; Buchholz, W.; Doering, W.","Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49-Typ mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1715","1718","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209424","14.989","","14.989","","14.989","","90","","90","","90","","3367.58","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na60 Au78 Sn24","","- Au78 Na60 Sn24 -","- Au77.9996 Na60.0004 Sn24 -","- Au77.9996 Na60.0004 Sn24 -","1","0.0208333","","Doering, W.; Schuster, H.U.; Seelentag, W.; Buchholz, W.","Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1715","1718","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209425","14.62","","14.62","","14.62","","90","","90","","90","","3124.94","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na52 Au80 Ge30","","- Au80 Ge30 Na52 -","- Au80 Ge30 Na52 -","- Au80 Ge30 Na52 -","1","0.0208333","","Schuster, H.U.; Doering, W.; Seelentag, W.; Buchholz, W.","Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1715","1718","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209426","14.438","","14.438","","14.438","","90","","90","","90","","3009.69","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na52 Au81 Si29","","- Au81 Na52 Si29 -","- Au81.2 Na52 Si28.8 -","- Au81.2 Na52 Si28.8 -","1","0.0208333","","Schuster, H.U.; Buchholz, W.; Doering, W.; Seelentag, W.","Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1715","1718","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7219465","33.175","0.004","33.175","0.004","33.175","0.004","90","","90","","90","","36512","8","223","2","223","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C26 H15 Cu O5 -","- C26 H15 Cu O5 -","- C624 H360 Cu24 O120 -","24","0.5","","Duan, Jingui; Li, QianQian; Lu, Zhiyong","A new mesoporous coordination polymer: synthesis, structure, and gas adsorption studies","CrystEngComm","2015","17","10","2087","","10.1039/C5CE00015G","","","0.71073","MoKα","","0.1142","0.1052","","","0.3358","0.3554","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7221504","7.4058","","7.4058","","7.4058","","90","","90","","90","","406.178","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Th Cu2.856 Mn4.144 O12","","- Cu2.856 Mn4.144 O12 Th -","- Cu2.856 Mn4.144 O12 Th -","- Cu5.712 Mn8.288 O24 Th2 -","2","0.0416667","","Sanchez-Benitez, J.; Martinez-Lope, M.J.; Alonso, J.A.","Magnetism, magnetotransport and magnetic structure of Th Cu3 Mn4 O12, prepared at moderate pressures","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","655","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222164","12.933","","12.933","","12.933","","90","","90","","90","","2163.21","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Li52 Cu57 Si51","","- Cu57 Li52 Si51 -","- Cu56.64 Li52 Si51.36 -","- Cu56.64 Li52 Si51.36 -","1","0.0208333","","Doering, W.; Seelentag, W.; Schuster, H.U.; Buchholz, W.","Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1715","1718","","","","","","","","","","","","","","","","","","","","","","has coordinates","156703","2020-10-21","18:00:00",""
"7222165","12.741","","12.741","","12.741","","90","","90","","90","","2068.29","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Li52 Ni36 Si72 -","- Li52 Ni36 Si72 -","- Li52 Ni36 Si72 -","1","0.0208333","","Doering, W.; Seelentag, W.; Buchholz, W.; Schuster, H.U.","Ternaere Alkalimetallverbindungen vom Mg32 (Zn, Al)49 Typ mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1715","1718","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222855","4.56","","4.56","","4.56","","90","","90","","90","","94.819","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Cu Br","","- Br Cu -","- Br Cu0.9996 -","- Br2 Cu1.9992 -","2","0.0416667","","Krug, J.; Sieg, L.","Die Struktur der Hochtemperatur-Modifikationen des Cu Br und Cu J","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1952","7","","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223777","16.332","0.002","16.332","","16.332","","90","","90","","90","","4356.3","0.5","113","2","113","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C14 H20 Ag N3 O0 -","- C14 H20 Ag N3 -","- C168 H240 Ag12 N36 -","12","0.25","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0521","0.0391","","","0.1002","0.1195","","","","","","1.095","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7225170","28.6573","0.0003","28.6573","0.0003","28.6573","0.0003","90","","90","","90","","23534.5","0.4","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H68 N14 O16 Zn2 -","- C35 H28 N9 O9 Zn2 -","- C420 H336 N108 O108 Zn24 -","12","0.25","","Han, Yun-Hu; Zhou, Zhong-Yuan; Tian, Chong-Bin; Du, Shao-Wu","A dual-walled cage MOF as an efficient heterogeneous catalyst for the conversion of CO2under mild and co-catalyst free conditions","Green Chem.","2016","18","14","4086","","10.1039/C6GC00413J","","","0.71073","MoKα","","0.0738","0.0726","","","0.2318","0.2349","","","","","","1.302","","","","has coordinates","185559","2020-10-21","18:00:00",""
"7228258","7.5178","0.0001","7.5178","0.0001","7.5178","0.0001","90","","90","","90","","424.886","0.01","","","293","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu2.667 Li2.667 O24 Ta8 -","- Cu2.67 Li2.67 O24 Ta8 -","- Cu2.67 Li2.67 O24 Ta8 -","1","0.0208333","","Mineo Sato; Yoshiki Hama","Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta)","Journal of Materials Chemistry","1993","3","","233","236","10.1039/JM9930300233","powder diffraction","x-ray","1.54185","CuKα","","","","","","","","0.0328","0.0223","","","","","","","","has coordinates","196674","2020-10-21","18:00:00",""
"7234482","8.9166","0.0003","8.9166","0.0003","8.9166","0.0003","90","","90","","90","","708.92","0.04","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","GeTe-doped cobalt antimonide","","","- Co Ge0.74 Sb1.53 Te0.74 -","- Co Ge0.741 Sb1.53 Te0.741 -","- Co8 Ge5.928 Sb12.24 Te5.928 -","8","0.166667","","Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler","Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples","Journal of Materials Chemistry C","2015","3","","10525","10533","10.1039/C5TC01509J","","","0.2946","synchrotron","","0.0475","0.0353","","","0.0804","0.0827","","","","","","1.202","","","","has coordinates","219190","2020-10-21","18:00:00",""
"7235654","12.3309","0.0007","12.331","","12.331","","90","","90","","90","","1874.96","0.11","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C3 H7 Mn N O6 -","- C3 H7.8 Mn N O6 -","- C24 H62.4 Mn8 N8 O48 -","8","0.166667","","Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias","Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism","RSC Advances","2014","4","39","20605","","10.1039/c4ra02609h","","","0.71073","MoKα","","0.0606","0.0556","","","0.1743","0.2017","","","","","","1.233","","","","has coordinates,has disorder","233205","2020-10-21","18:00:00",""
"7236102","26.7264","0.0013","26.7264","0.0013","26.7264","0.0013","90","","90","","90","","19090.7","1.6","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C240 H288 N36 O90 Tb6 -","- C231 H96 N39 O67 Tb6 -","- C462 H192 N78 O134 Tb12 -","2","0.0416667","","Han, Yun-Hu; Tian, Chong-Bin; Lin, Ping; Du, Shao-Wu","An unprecedented anionic Ln-MOF with a cage-within-cage motif: spontaneous reduction and immobilization of ion-exchanged Pd(ii) to Pd-NPs in the framework","Journal of Materials Chemistry A","2015","3","48","24525","","10.1039/C5TA04937G","","","0.71073","MoKα","","0.0715","0.0628","","","0.1466","0.1521","","","","","","1.196","","","","has coordinates,has disorder","233917","2020-10-21","18:00:00",""
"7239544","27.3685","0.0002","27.3685","0.0002","27.3685","0.0002","90","","90","","90","","20500","0.3","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C11 H5 N0.5 O3 Zn0.75 -","- C11 H5 N0.5 O3 Zn0.75 -","- C528 H240 N24 O144 Zn36 -","48","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Pan, Jie; Zhang, Linjie; Li, Xingjun; Yuan, Daqiang; Hong, Maochun","Sorption behaviour in a unique 3,12-connected zinc‒organic framework with 2.4 nm cages","Journal of Materials Chemistry A","2013","1","36","10631","","10.1039/c3ta12391j","","","1.54184","CuKα","","0.0841","0.0799","","","0.2435","0.2527","","","","","","1.086","","","","has coordinates","244761","2020-10-21","18:00:00",""
"7240176","12.04747","0.00016","12.04747","0.00016","12.04747","0.00016","90","","90","","90","","1748.59","0.04","298","2","298","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H9.5001 Fe N0.75 O6.25005 -","- C36 H76.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.05","0.0373","","","0.1001","0.1066","","","","","","1.104","","","","has coordinates,has disorder","249690","2020-10-21","18:00:00",""
"7240177","12.0219","0.0008","12.0219","0.0008","12.0219","0.0008","90","","90","","90","","1737.5","0.2","240","0.4","240","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0429","0.0361","","","0.0895","0.0961","","","","","","1.078","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240178","11.9923","0.0003","11.9923","0.0003","11.9923","0.0003","90","","90","","90","","1724.68","0.07","80","0.9","80","0.9","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0499","0.0437","","","0.1029","0.1051","","","","","","1.234","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240179","12.0296","0.0007","12.0296","0.0007","12.0296","0.0007","90","","90","","90","","1740.82","0.18","260","0.6","260","0.6","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.046","0.0382","","","0.0953","0.104","","","","","","1.161","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240180","12.0082","0.0007","12.0082","0.0007","12.0082","0.0007","90","","90","","90","","1731.54","0.17","180","0.3","180","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0413","0.0348","","","0.0849","0.0883","","","","","","1.215","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240181","12.0051","0.0006","12.0051","0.0006","12.0051","0.0006","90","","90","","90","","1730.2","0.15","160","0.3","160","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0432","0.0368","","","0.092","0.0977","","","","","","1.238","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240182","12.035","0.0006","12.035","0.0006","12.035","0.0006","90","","90","","90","","1743.16","0.15","300","0.7","300","0.7","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0744","0.0567","","","0.1784","0.2185","","","","","","1.177","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240183","12.0077","0.0003","12.0077","0.0003","12.0077","0.0003","90","","90","","90","","1731.33","0.07","200","0.4","200","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0358","0.0335","","","0.0844","0.0855","","","","","","1.205","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240184","11.9986","0.0007","11.9986","0.0007","11.9986","0.0007","90","","90","","90","","1727.4","0.17","120","0.3","120","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0441","0.0366","","","0.086","0.0917","","","","","","1.231","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240185","12.0121","0.0009","12.0121","0.0009","12.0121","0.0009","90","","90","","90","","1733.2","0.2","220","0.4","220","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0416","0.0358","","","0.0891","0.0933","","","","","","1.106","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240186","12.0016","0.0007","12.0016","0.0007","12.0016","0.0007","90","","90","","90","","1728.69","0.17","140","0.3","140","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0422","0.0367","","","0.086","0.0893","","","","","","1.183","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7247161","33.6001","0.0009","33.6001","0.0009","33.6001","0.0009","90","","90","","90","","37933.4","1.8","150","2","150","2","","","","","","","","9","I m -3","-I 2 2 3","204","","","","- C194 H244 Cu4 F30 N28 Na2 O82 Rh8 S10 -","- C181.333 H152 Cu4 F16 N28 Na2 O52 Rh8 S5.33333 -","- C1088 H912 Cu24 F96 N168 Na12 O312 Rh48 S32 -","6","0.125","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.053","0.0488","","","0.1526","0.1585","","","","","","1.087","","","","has coordinates","285457","2023-08-05","01:11:37",""
"7705062","9.4465","0.0003","9.4465","0.0003","9.4465","0.0003","90","","90","","90","","842.97","0.05","100","","100","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ir K O3 -","- Ir K1.00067 O3 -","- Ir12 K12.008 O36 -","12","0.25","","Guo, Shu; Powderly, Kelly M.; Cava, R. J.","Synthesis, structure, and magnetism of BCC KIrO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12018","12024","10.1039/d0dt01836h","","","0.71073","MoKα","","0.0132","0.0125","","","0.0296","0.0297","","","","","","1.293","","","","has coordinates,has disorder","256107","2020-10-21","18:00:00",""
"7712335","26.4097","0.0002","26.4097","0.0002","26.4097","0.0002","90","","90","","90","","18420","0.2","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C48 H56 Ca N4 O17 Ti -","- C36 H25.308 Ca O11.654 Ti -","- C432 H303.696 Ca12 O139.848 Ti12 -","12","0.25","","Pan, Xuze; Si, Xuezhen; Zhang, Xiaoying; Yao, Qingxia; Li, Yunwu; Duan, Wenzeng; Qiu, Yi; Su, Jie; Huang, Xianqiang","A robust and porous titanium metal-organic framework for gas adsorption, CO<sub>2</sub> capture and conversion.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3896","3906","10.1039/d2dt03158b","","","1.54178","CuKα","","0.0909","0.0701","","","0.2013","0.2218","","","","","","1.045","","","","has coordinates,has disorder","283334","2023-05-05","02:37:21",""
"7714855","10.2042","0.0006","10.2042","0.0006","10.2042","0.0006","90","","90","","90","","1062.52","0.11","296","2","296","2","","","","","","","","3","I m -3","-I 2 2 3","204","","B12 Pt24 Sc5","","- B12 Pt24 Sc5 -","- B12 Pt24 Sc5 -","- B24 Pt48 Sc10 -","2","0.0416667","","Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter F.","Cage compound Sc<sub>5</sub>Pt<sub>24</sub>B<sub>12</sub>: a Pt-stuffed variant of filled skutterudite structure. Electronic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","233","244","10.1039/d3dt02825a","","x-ray","0.71073","MoKα","","0.0227","0.0173","","","0.0266","0.0273","","","","","","1.146","","","","has coordinates","288583","2024-01-01","00:48:09",""
"7716073","7.41679","0.00004","7.41679","0.00004","7.41679","0.00004","90","","90","","90","","407.989","0.004","298","","298","","","","","","","","","4","I m -3","-I 2 2 3","204","","","A-position ordered perovskite","- Cr Mn6 O12 Pb -","- Cr Mn6 O12 Pb -","- Cr2 Mn12 O24 Pb2 -","2","0.0416667","","Xue, Man; Yan, Xiaohui; Xu, Deyang; Zheng, Bin; Guo, Wenbin; Kuang, Xiaojun; Lei, Xiuyun; Yin, Congling","High-Pressure Synthesis of A-site Ordered Perovskite PbMn3(CrMn3)O12 with Long-range Antiferromagnetic Ordering and Spin Glass Transition","Dalton Transactions","2024","","","","","10.1039/D4DT01357C","","","1.5418","","","","","","","","","","","","","","","","","","has coordinates","291872","2024-05-15","23:01:17",""
"8102977","10.013","0.001","10.013","0.001","10.013","0.001","90","","90","","90","","1003.91","0.17","295","2","295","2","","","","","","","","5","I m -3","-I 2 2 3","204","","potassium lead bismuth oxide hydrate (1.09/0.07/0.93/3/0.17)","","- Bi0.93 H0.33 K1.09 O3.17 Pb0.07 -","- Bi0.93 K1.09 O3.16667 Pb0.07 -","- Bi11.16 K13.08 O38 Pb0.84 -","12","0.25","","Poleti, Dejan; Karanovic, Ljiljana; Djordjevic, Tamara; Hadzi-Tonic, Aleksandra","Crystal structure of potassium lead bismuth oxide hydrate, K~1.09~ (Bi~0.93~Pb~0.07~)O~3~ · 1/6H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","365","366","","","","0.71069","MoKα","","0.011","0.01","","","0.023","0.023","","","","","","1.22","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104531","9.34","0.002","9.34","0.002","9.34","0.002","90","","90","","90","","814.8","0.3","","","293","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ir O3 Sr -","- Ir O3 Sr0.848667 -","- Ir12 O36 Sr10.184 -","12","0.25","","Schmalle, H.; Gurtner, Ch.; Oswald, H. R.; Reller, A.","The crystal structure of SrIrO3","Zeitschrift fur Kristallographie","1990","191","","239","247","","","x-ray","0.71073","MoKα","","0.038","0.0263","","","0.0183","0.0232","","","","","","","","","","has coordinates","198140","2020-10-21","18:00:00",""
"9004289","9.0411","","9.0411","","9.0411","","90","","90","","90","","739.033","","","","","","","","","","","","Tunaberg, Sweden","6","I m -3","-I 2 2 3","204","","","Kieftite","- Cl0.03 Co0.91 Cu0.02 Fe0.02 Ni0.05 Sb2.97 -","- Cl0.03 Co0.91 Cu0.02 Fe0.02 Ni0.05 Sb2.97 -","- Cl0.24 Co7.28 Cu0.16 Fe0.16 Ni0.4 Sb23.76 -","8","0.166667","","Dobbe, R. T. M.; Lustenhouwer, W. J.; Zakrzewski, M. A.; Goubitz, K.; Fraanje, J.; Schenk, H.","Kieftite, CoSb3, a new member of the skutterudite group from Tunaberg, Sweden","The Canadian Mineralogist","1994","32","","179","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9006334","7.46718","","7.46718","","7.46718","","90","","90","","90","","416.361","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Fe3 O12 Ti4 -","- Ca Fe3 O12 Ti4 -","- Ca2 Fe6 O24 Ti8 -","2","0.0416667","","Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B.","High-pressure perovskites on the join CaTiO3-FeTiO3","Physics and Chemistry of Minerals","1995","22","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007544","8.195","","8.195","","8.195","","90","","90","","90","","550.36","","","","","","","","","","","","Bou-Azzer, Morocco","4","I m -3","-I 2 2 3","204","","","Skutterudite","- As3 Co0.87 Fe0.11 Ni0.13 -","- As3 Co0.87 Fe0.11 Ni0.13 -","- As24 Co6.96 Fe0.88 Ni1.04 -","8","0.166667","","Mandel, N.; Donohue, J.","The refinement of the crystal structure of skutterudite, CoAs3","Acta Crystallographica, Section B","1971","27","","2288","2289","10.1107/S0567740871005727","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9010370","13.017","","13.017","","13.017","","90","","90","","90","","2205.63","","","","","","","","","","","","Jacupiranga mine, Cajati county, Sao Paulo, Brazil","13","I m -3","-I 2 2 3","204","","","Menezesite","- Ba2.21 Ca0.31 Fe0.23 H48 K0.53 Mg0.935 Mn0.23 Nb9.22 O54 Ta0.36 Th0.55 Ti3.25 Zr2.74 -","- Ba2.2099 Ca0.3096 Fe0.2298 H24 K0.5304 Mg0.9348 Mn0.2298 Nb9.2196 O54 Ta0.36 Th0.55 Ti3.2504 Zr2.74 -","- Ba4.4198 Ca0.6192 Fe0.4596 H48 K1.0608 Mg1.8696 Mn0.4596 Nb18.4392 O108 Ta0.72 Th1.1 Ti6.5008 Zr5.48 -","2","0.0416667","","Atencio, D.; Coutinho, J. M. V.; Doriguetto, A. C.; Mascarenhas, Y. P.; Ellena, J.; Ferrari, V. C.","Menezesite, the first natural heteropolyniobate, from Cajati, Sao Paulo, Brazil: description and crystal structure Locality: Jacupiranga mine, Cajati county, Sao Paulo, Brazil","American Mineralogist","2008","93","","81","87","10.2138/am.2008.2536","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9012833","7.9743","","7.9743","","7.9743","","90","","90","","90","","507.081","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Dzhalindite","- H3 In O3 -","- H3 In O3 -","- H24 In8 O24 -","8","0.166667","","Mullica, D. F.; Beall, G. W.; Milligan, W. O.; Korp, J. D.; Bernal, I.","The crystal structure of cubic In(OH)3 by X-Ray and neutron diffraction methods Locality: synthetic Sample: neutron refinement","Journal of Inorganic and Nuclear Chemistry","1979","41","","277","282","10.1016/0022-1902(79)80133-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012834","7.9743","","7.9743","","7.9743","","90","","90","","90","","507.081","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Dzhalindite","- H3 In O3 -","- H3 In O3 -","- H24 In8 O24 -","8","0.166667","","Mullica, D. F.; Beall, G. W.; Milligan, W. O.; Korp, J. D.; Bernal, I.","The crystal structure of cubic In(OH)3 by X-Ray and neutron diffraction methods Locality: synthetic Sample: X-ray sample","Journal of Inorganic and Nuclear Chemistry","1979","41","","277","282","10.1016/0022-1902(79)80133-5","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014797","9.05294","","9.05294","","9.05294","","90","","90","","90","","741.94","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Kieftite","- Co4 In0.2 Sb12 -","- Co8 In0.4 Sb24 -","- Co8 In0.4 Sb24 -","","","","He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.","Thermoelectric properties of indium-filled skutterudites","Chemistry of Materials","2006","18","","759","762","10.1021/cm052055b","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015095","8.4507","","8.4507","","8.4507","","90","","90","","90","","603.501","","","","","","","","","","","","Synthetic","2","I m -3","-I 2 2 3","204","","","","- As3 Rh -","- As24 Rh8 -","- As24 Rh8 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015123","9.2533","","9.2533","","9.2533","","90","","90","","90","","792.3","","","","","","","","","","","","Synthetic","2","I m -3","-I 2 2 3","204","","","","- Ir Sb3 -","- Ir8 Sb24 -","- Ir8 Sb24 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015265","9.2322","","9.2322","","9.2322","","90","","90","","90","","786.893","","","","","","","","","","","","Synthetic","2","I m -3","-I 2 2 3","204","","","","- Rh Sb3 -","- Rh8 Sb24 -","- Rh8 Sb24 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015513","9.0347","","9.0347","","9.0347","","90","","90","","90","","737.465","","","","","","","","","","","","Synthetic","2","I m -3","-I 2 2 3","204","","","Kieftite","- Co Sb3 -","- Co8 Sb24 -","- Co8 Sb24 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015566","9.3887","","9.3887","","9.3887","","90","","90","","90","","827.592","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","","- Pt Sb1.347 Sn1.821 -","- Pt8 Sb10.776 Sn14.568 -","- Pt8 Sb10.776 Sn14.568 -","","","","Liang, Y.; Borrmann, H.; Baenitz, M.; Schnelle, W.; Budnyk, S.; Zhao, J. T.; Grin, Y.","SnxPt4SnySb12-y: A skutterudite with covalently bonded filler","Inorganic Chemistry","2008","47","","9489","9496","10.1021/ic801154a","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015724","9.0904","","9.0904","","9.0904","","90","","90","","90","","751.189","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","","- Fe0.5 Ni0.5 Sb3 -","- Fe4 Ni4 Sb24 -","- Fe4 Ni4 Sb24 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016286","8.2055","","8.2055","","8.2055","","90","","90","","90","","552.478","","","","","","","","","","","","Synthetic","2","I m -3","-I 2 2 3","204","","","Skutterudite","- As3 Co -","- As24 Co8 -","- As24 Co8 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016517","8.4673","","8.4673","","8.4673","","90","","90","","90","","607.065","","","","","","","","","","","","Synthetic","2","I m -3","-I 2 2 3","204","","","","- As3 Ir -","- As24 Ir8 -","- As24 Ir8 -","","","","Kjekshus, A.; Rakke, T.","Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,","Acta Chemica Scandinavica A","1974","28","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""