# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-18T12:39:23+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'F m m m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "1001339","5.802","0.002","5.969","0.002","11.699","0.003","90","","90","","90","","405.2","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Disodium uranate","","- Na2 O4 U -","- Na2 O4 U -","- Na8 O16 U4 -","4","0.125","","Gasperin, M.","Synthese en monocristaux et structure du monouranate de sodium β-Na~2~UO~4~","Journal of Solid State Chemistry","1985","60","3","316","319","10.1016/0022-4596(85)90282-8","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","200145","2020-10-21","18:00:00","" "1001409","5.385","","5.424","","30.316","","90","","90","","90","","885.5","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Bismuth lead distrontium yttrium dicopper oxide","","- Bi Cu2 O8 Pb Sr2 Y -","- Bi Cu2 O8 Pb Sr2 Y -","- Bi4 Cu8 O32 Pb4 Sr8 Y4 -","4","0.125","","Retoux, R; Caignaert, V; Provost, J; Michel, C; Hervieu, M; Raveau, B","Superconducting properties and Structural Study of Bi~2-x~ Pb~x~ Sr~2~ Ca~1-x~ Y~x~ Cu~2~ O~8~ (0< x< 1)","Journal of Solid State Chemistry","1989","79","","157","168","10.1016/0022-4596(89)90261-2","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001458","5.442","0.004","5.462","0.004","36.9","0.02","90","","90","","90","","1096.8","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Lead strontium neodymium cerium copper oxide (2/2/1/1/3/10.2)","","- Ce Cu3 Nd O10.2 Pb2 Sr2 -","- Ce Cu3 Nd O10.2 Pb2 Sr2 -","- Ce4 Cu12 Nd4 O40.8 Pb8 Sr8 -","4","0.125","","Rouillon, T.; Groult, D.; Hervieu, M.; Michel, C.; Raveau, B.","Pb~2~Sr~2~LnCeCu~3~O~10+δ~, a new member of the layered cuprates family, built up from double fluorite-type layers","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","167","1-2","107","111","10.1016/0921-4534(90)90493-X","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00","" "1001527","5.4522","0.0002","5.4807","0.0002","37.012","0.001","90","","90","","90","","1106","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Dilead distrontium praseodymium cerium tricopper oxide","","- Ce Cu3 O10 Pb2 Pr Sr2 -","- Ce Cu3 O10 Pb2 Pr Sr2 -","- Ce4 Cu12 O40 Pb8 Pr4 Sr8 -","4","0.125","","Rouillon, T; Hervieu, M; Domenges, B; Raveau, B","Structural study of the oxide Pb~2~Sr~2~PrCeCu~3~O~10~, intergrowth of 0201- and 0222-type structures","Journal of Solid State Chemistry","1993","103","","63","74","10.1006/jssc.1993.1079","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001528","5.4512","0.0001","5.4799","0.0001","37.0107","0.0008","90","","90","","90","","1105.6","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Lead strontium praseodymium cerium copper oxide (2./2./1/1/3./10.1)","","- Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02 -","- Ce Cu3 O10.04 Pb2 Pr Sr2 -","- Ce4 Cu12 O40.16 Pb8 Pr4 Sr8 -","4","0.125","","Rouillon, T; Hervieu, M; Domenges, B; Raveau, B","Structural study of the oxide Pb~2~Sr~2~PrCeCu~3~O~10~, intergrowth of 0201- and 0222-type structures","Journal of Solid State Chemistry","1993","103","","63","74","10.1006/jssc.1993.1079","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00","" "1001550","5.4028","0.0006","5.4745","0.0006","24.515","0.002","90","","90","","90","","725.1","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Bismuth lead barium lanthanum copper oxide","","- Ba Bi Cu La O6 Pb -","- Ba Bi Cu La O6 Pb -","- Ba4 Bi4 Cu4 La4 O24 Pb4 -","4","0.125","","Pham, A Q; Michel, C; Hervieu, M; Maignan, A; Raveau, B","Substitution of lead for bismuth in the 2201-type oxide Bi~2~BaLaCuO~6+d~","Journal of Physics and Chemistry of Solids","1993","54","1","65","71","10.1016/0022-3697(93)90115-8","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001571","5.469","0.002","5.483","0.002","54.26","0.01","90","","90","","90","","1627.1","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Dibismuth pentastrontium tricopper bis(carbonate) decaoxide","","- C2 Bi2 Cu3 O16 Sr5 -","- C2 Bi2 Cu3 O16 Sr4.998 -","- C8 Bi8 Cu12 O64 Sr19.992 -","4","0.125","","Pelloquin, D; Maignan, A; Caldes, M; Hervieu, M; Michel, C; Raveau, B","The bismuth oxycarbonate Bi~2~Sr~6-x~Cu~3~O~10~(CO~3~)~2~. A new 40K superconductor, second member of the series (Bi~2~Sr~2~CuO~6~)~n~(Sr~2~CuO~2~CO~3~)~n~'","Physica C (Amsterdam) (152,1988-)","1993","212","","199","205","10.1016/0921-4534(93)90503-I","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00","" "1001700","5.571","0.001","5.583","0.001","31.10399","0.004","90","","90","","90","","967.4","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Bismuth barium lanthanum copper oxide (2/2.3/0.7/2/8)","","- Ba2.3 Bi2 Cu2 La0.7 O8 -","- Ba2.3 Bi2 Cu2 La0.7 O8 -","- Ba9.2 Bi8 Cu8 La2.8 O32 -","4","0.125","","Pham, A Q; Hervieu, H; Michel, C; Raveau, B","A new member of the 2212-type family: the oxide Bi2 Ba2+x La1-x Cu2 O8+d","Physica C (Amsterdam) (152,1988-)","1992","199","","321","327","10.1016/0921-4534(92)90417-B","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001709","5.488","0.001","5.475","0.001","31.50899","0.005","90","","90","","90","","946.7","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium iron oxide (2/2.6/2/11)","","- Bi2 Fe2 O11 Sr2.591 -","- Bi2 Fe2 O11 Sr2.591 -","- Bi8 Fe8 O44 Sr10.364 -","4","0.125","","Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d","Journal of Physics: Condensed Matter","1995","7","","10003","10014","10.1088/0953-8984/7/50/030","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006012","5.373","0.002","33.907","0.006","23.966","0.004","90","","90","","90","","4366.2","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/8/5/20.5)","","- Bi4 Cu5 O20.5 Sr8 -","- Bi4 Cu5 O20.5 Sr8 -","- Bi32 Cu40 O164 Sr64 -","8","0.25","","Fuertes, A; Miravitilles, C; Gonzales-Calbet, J; Vallet-Regi, M; Obradors, X; Rodriguez-Carvajal, J","The tubular crystal structure of the new phase Bi~4~ Sr~8~ Cu~5~ O~19+x~ related to the supercoducting perovskites","Physica C (Amsterdam) (152,1988-)","1989","157","","525","530","10.1016/0921-4534(89)90281-5","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006049","5.3671","0.0001","33.9719","0.0006","24.0722","0.0004","90","","90","","90","","4389.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/7.9/5/19.1)","","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi32 Cu40 O152.48 Sr62.88 -","8","0.25","","Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A","Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~","Chemistry of Materials (1,1989-","1991","3","5","844","852","10.1021/cm00017a020","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006050","3.671","","33.9719","","24.0722","","90","","90","","90","","3002.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/7.9/5/19.1)","","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi32 Cu40 O152.48 Sr62.88 -","8","0.25","","Caldes, M T; Navarro, J M; Fuertes, A; Obradors, X; Miravitlles, C; Rodriguez-Carvajal, J; Vallet, M; Gonzalez-Calbet, J","High resolution neutron powder diffraction study of the tubular phase Bi~4~Sr~8~Cu~5~O~19+x~","Materials Research Society Symposia Proceedings","1990","169","","133","138","10.1557/PROC-169-133","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008573","5.35","0.001","13.148","0.006","5.398","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Lanthanum copper oxide (2/1/4.02)","","- Cu La2 O4.024 -","- Cu La2 O4.024 -","- Cu4 La8 O16.096 -","4","0.125","","Chaillout, C; Bordet, P; Chenavas, J; Cheong, S W; Fisk, Z; Marezio, M; Morosin, B; Schirber, J E","Structural aspects of the phase separation in La~2~CuO~4.032~","Materials Research Society Symposia Proceedings","1990","169","","47","52","10.1557/PROC-169-47","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008643","5.4644","0.0001","5.457","0.0001","12.7035","0.0002","90","","90","","90","","378.8","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Lanthanum nickel oxide (2/1/4.2)","","- La2 Ni O4.24 -","- La2 Ni O4.2396 -","- La8 Ni4 O16.9584 -","4","0.125","","Demourgues, A; Wattiaux, A; Grenier, J C; Pouchard, M; Soubeyroux, J L; Dance, J M; Hagenmuller, P","Electrochemical preparation and structural characterization of La~2~NiO~4+d~ phases (03.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510810","9.697","","5.577","","25.64","","90","","90","","90","","1386.62","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Pr Rh4.8 B2","","- B2 Pr Rh4.8 -","- B2 Pr Rh4.8 -","- B24 Pr12 Rh57.6 -","12","0.375","","Kobayashi, T.; Higashi, I.; Takei, H.; Shishido, T.","Crystal Structure of Pr Rh4.8 B2","Journal of the Less-Common Metals","1988","139","","211","220","10.1016/0022-5088(88)90002-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511242","2.5","","4.34","","3.35","","90","","90","","90","","36.347","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","","","- B N -","- B N -","- B4 N4 -","4","0.125","","Kurdyumov, A.V.; Oleinik, G.S.","Metastable structures of graphite-like boron nitride","Kristallografiya","1984","29","","792","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1511377","5.601","","9.845","","28.903","","90","","90","","90","","1593.77","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Sr5 Rh14 B10","","- B10 Rh14 Sr5 -","- B10 Rh14 Sr5 -","- B40 Rh56 Sr20 -","4","0.125","","Jung, W.","AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur","Journal of the Less-Common Metals","1984","97","","253","263","10.1016/0022-5088(84)90030-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511407","5.53","","9.652","","40.42","","90","","90","","90","","2157.44","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Ca7 Rh20 B14","","- B14 Ca7 Rh20 -","- B14 Ca7 Rh20 -","- B56 Ca28 Rh80 -","4","0.125","","Jung, W.","AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur","Journal of the Less-Common Metals","1984","97","","253","263","10.1016/0022-5088(84)90030-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511511","5.537","","10.006","","11.625","","90","","90","","90","","644.062","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Sr2 Rh5 B4","","- B4 Rh5 Sr2 -","- B4 Rh5 Sr2 -","- B16 Rh20 Sr8 -","4","0.125","","Jung, W.","AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur","Journal of the Less-Common Metals","1984","97","","253","263","10.1016/0022-5088(84)90030-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511561","5.46","","9.727","","11.22","","90","","90","","90","","595.888","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Ca2 Rh5 B4","","- B4 Ca2 Rh5 -","- B4 Ca2 Rh5 -","- B16 Ca8 Rh20 -","4","0.125","","Jung, W.","An Rh 3n-1 B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur","Journal of the Less-Common Metals","1984","97","","253","263","10.1016/0022-5088(84)90030-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511571","5.5","","9.698","","17.047","","90","","90","","90","","909.27","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Ca3 Rh8 B6","","- B6 Ca3 Rh8 -","- B6 Ca3 Rh8 -","- B24 Ca12 Rh32 -","4","0.125","","Jung, W.","AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur","Journal of the Less-Common Metals","1984","97","","253","263","10.1016/0022-5088(84)90030-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511602","5.537","","9.847","","17.099","","90","","90","","90","","932.286","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Eu3 Rh8 B6","","- B6 Eu3 Rh8 -","- B6 Eu3 Rh8 -","- B24 Eu12 Rh32 -","4","0.125","","Jung, W.","La2 Rh5 B4, Eu2 Rh5 B4 und Eu3 Rh8 B6-Lanthanoid-Rhodiumboride aus der homologen Reihe An Rh3n-1 B2n","Journal of the Less-Common Metals","1990","161","","375","384","10.1016/0022-5088(90)90050-T","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511642","5.572","","9.921","","17.118","","90","","90","","90","","946.28","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Sr3 Rh8 B6","","- B6 Rh8 Sr3 -","- B6 Rh8 Sr3 -","- B24 Rh32 Sr12 -","4","0.125","","Jung, W.","AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur","Journal of the Less-Common Metals","1984","97","","253","263","10.1016/0022-5088(84)90030-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511735","5.492","","9.914","","11.237","","90","","90","","90","","611.829","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Eu2 Rh5 B4","","- B4 Eu2 Rh5 -","- B4 Eu2 Rh5 -","- B16 Eu8 Rh20 -","4","0.125","","Jung, W.","La2Rh5B4,Eu2Rh5B4 und Eu3Rh4/8B6 Lanthanoid-Rhodiumboride aus der homologen Reihe AnRh3n-1B2n","Journal of the Less-Common Metals","1990","161","","375","384","10.1016/0022-5088(90)90050-T","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511759","5.515","","9.964","","11.343","","90","","90","","90","","623.314","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 Rh5 B4","","- B4 La2 Rh5 -","- B4 La2 Rh5 -","- B16 La8 Rh20 -","4","0.125","","Jung, W.","La2Rh5B4, Eu2Rh5B4 und Eu3Rh4/8B6 Lanthanoid-Rhodiumboride aus der homologen Reihe AnRh3n-1B2n","Journal of the Less-Common Metals","1990","161","","375","384","10.1016/0022-5088(90)90050-T","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519936","7.4105","0.0004","20.0675","0.0011","21.4471","0.0011","90","","90","","90","","3189.4","0.3","298","2","298","","","","","","","","","10","F m m m","-F 2 2","69","tazzoliite","tazzoliite","tazzoliite","- Ba4.2 Ca3.31 H1.73 Na0.48 Nb5.76 O38.83 P0.52 Si2 Sr0 Ti4.24 -","- Ba4.22 Ca3.3 H1.72 Na0.48 Nb5.76 O38.82 P0.52 Si2 Ti4.24 -","- Ba16.88 Ca13.2 H6.88 Na1.92 Nb23.04 O155.28 P2.08 Si8 Ti16.96 -","4","0.125","","Cámara, Fernando; Nestola, Fabrizio; Bindi, Luca; Guastoni, Alessandro; Zorzi, Federico; Peruzzo, Luca; Pedron, Danilo","Tazzoliite: a new mineral with a pyrochlore-related structure from the Euganei Hills, Padova, Italy","Mineralogical Magazine","2012","76","4","827","838","10.1180/minmag.2012.076.4.01","","x-ray","0.71073","MoKα","","0.0633","0.0625","","","0.1575","0.1581","","","","","","1.246","","","","has coordinates","176429","2020-10-21","18:00:00","" "1520926","5.3314","","5.3697","","31.067","","90","","90","","90","","889.387","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","(Bi0.6 Pb0.4)1.644 (Ca0.67 Sr0.33)2 (Sr0.77 Ca0.23) Mn2 O9","","- Bi0.9864 Ca1.57 Mn2 O9 Pb0.6576 Sr1.43 -","- Bi0.986 Ca1.57 Mn2 O9 Pb0.658 Sr1.43 -","- Bi3.944 Ca6.28 Mn8 O36 Pb2.632 Sr5.72 -","4","0.125","","Catti, M.; Levy, D.; Artioli, G.","Synchrotron X-ray powder diffraction study of (Bi, Pb)1.64 Sr1.43 Ca1.57 Mn2 O9, Mn-analogue of BSCCO-2212 superconductor","Journal of Solid State Chemistry","1999","147","","501","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","140506","2020-10-21","18:00:00","" "1521315","13.601","","18.232","","17.81","","90","","90","","90","","4416.41","","","","","","","","","","","","","7","F m m m","-F 2 2","69","","Na0.41 Ca0.63 (N D4)12.8 (Al13.68 Si58.32 O144) (D2 O)36.16","","- Al13.68 Ca0.63 D123.52 N12.8 Na0.41 O180.16 Si58.32 -","- Al13.68 Ca0.632 N12.8 Na0.408 O180.16 Si58.32 -","- Al13.68 Ca0.632 N12.8 Na0.408 O180.16 Si58.32 -","1","0.03125","","Meneghinello, E.; Alberti, A.; Cruciani, G.; Rapacciuolo, M.T.; Sacerdoti, M.; Ciambelli, P.; McIntyre, G.J.","Single crystal neutron diffraction study of the natural zeolite barrerite in its (N D4) - exchanged form","European Journal of Mineralogy (1,1989-)","2000","12","","1123","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1522301","5.5243","","5.5246","","32.99959","","90","","90","","90","","1007.13","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Bi2 Sr2 Nb2 Mn O11.57","","- Bi2 Mn Nb2 O11.57 Sr2 -","- Bi2 Mn Nb2 O11.5684 Sr2 -","- Bi8 Mn4 Nb8 O46.2736 Sr8 -","4","0.125","","Yu, W.J.; Kim, Y.I.; Seong, S.; Ha, D.H.; Lee, J.-H.; Park, Y.K.; Hur, N.H.","A new manganese oxide with Aurivillius structure: Bi2 Sr2 Nb2 Mn O12-d","Solid State Communications","1999","111","","705","709","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1522492","9.84","","5.711","","26.51","","90","","90","","90","","1489.76","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","","","- Pb5 Rh4 -","- Pb5 Rh4 -","- Pb40 Rh32 -","8","0.25","","Mayer, H.W.; Schubert, K.","Die Kristallstruktur von Rh4 Pb5","Journal of the Less-Common Metals","1973","33","","91","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1523387","25.086","","46.036","","16.043","","90","","90","","90","","18527.4","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Ga20.32 Na6.25 Rb0.602 -","- Ga20.325 Na6.25 Rb0.6025 -","- Ga650.4 Na200 Rb19.28 -","32","1","","Charbonnel, M.; Belin, C.","Synthesis and X-ray crystal structure of the new nonstoichiometric phase Rb.60 Na.625 Ga.20.02","Journal of Solid State Chemistry","1987","67","","210","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1523388","24.666","","15.974","","45.271","","90","","90","","90","","17837.4","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Ga19.56 Li3 Na5 -","- Ga19.5395 Li3 Na5 -","- Ga625.264 Li96 Na160 -","32","1","","Charbonnel, M.; Belin, C.","Synthesis and crystal structure of the new nonstoichiometric phase Li3 Na5 Ga19.56","Nouveau Journal de Chimie","1984","8","","595","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526216","5.3934","","5.4364","","20.516","","90","","90","","90","","601.543","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- La3 Ni2 O6.94 -","- La3 Ni2 O6.94 -","- La12 Ni8 O27.76 -","4","0.125","","Park, J.-C.; Kim, D.-K.; Byeon, S.H.; Kim, D.","XANES study on Ruddlesden-Popper phase, La~n+1~Ni~n~O2~n+1~ (n = 1, 2 and ∞)","Journal of Synchrotron Radiation","2001","8","2","704","706","10.1107/S0909049500015983","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1527142","6.295","","5.636","","9.929","","90","","90","","90","","352.267","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","U O2 (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","0.125","","Bergstroem, G.; Lundgren, G.","X-ray investigation on uranyl hydroxides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1956","10","","673","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528703","5.365","","5.409","","13.17","","90","","90","","90","","382.184","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 (Cu O4)","","- Cu La2 O4 -","- Cu La2 O4 -","- Cu4 La8 O16 -","4","0.125","","Longo, J.M.; Raccah, P.H.","The structure of La2 Cu O4 and La Sr V O4","Journal of Solid State Chemistry","1973","6","","526","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1530550","13.611","","18.227","","17.858","","90","","90","","90","","4430.35","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Na7.52 (Si28.44 Al7.56 O72) (H2 O)19.68","","- Al7.56 H39.36 Na7.52 O91.68 Si28.44 -","- Al7.56 Na7.52 O91.68 Si28.44 -","- Al15.12 Na15.04 O183.36 Si56.88 -","2","0.0625","","Passaglia, E.; Sacerdoti, M.","Crystal structural refinement of Na-exchanged stellerite","Bulletin de Mineralogie (101,1978-)","1982","105","","338","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1530671","13.61","","18.214","","17.833","","90","","90","","90","","4420.67","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Ca7.36 (Al16.99 Si55.01 O144) (H2 O)72.4","","- Al16.99 Ca7.36 H144.8 O216.4 Si55.01 -","- Al16.992 Ca7.36 O216.4 Si55.008 -","- Al16.992 Ca7.36 O216.4 Si55.008 -","1","0.03125","","Sacerdoti, M.; Gomedi, I.","Crystal Structural Refinement of Ca-exchanged Barrerite","Bulletin de Mineralogie (101,1978-)","1984","107","","799","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1530763","11.329","","12.965","","3.936","","90","","90","","90","","578.122","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","(Sr0.57 Y0.43) Cu1.71 O3","","- Cu1.71 O3 Sr0.57 Y0.43 -","- Cu1.712 O3 Sr0.57 Y0.43 -","- Cu13.696 O24 Sr4.56 Y3.44 -","8","0.25","","Siegrist, T.; Waszczak, J.V.; Schneemeyer, L.F.; Sunshine, S.A.; Roth, R.S.","A new layered cuprate structure-type, (A1-x A'x)14 Cu24 O41","Materials Research Bulletin","1988","23","","1429","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","155966","2020-10-21","18:00:00","" "1533463","8.2236","","8.3172","","8.3659","","90","","90","","90","","572.205","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Sr6 (Ta2 (O10.04 (H2 O)0.6))","","- H1.2 O10.64 Sr6 Ta2 -","- O10.64 Sr6 Ta2 -","- O21.28 Sr12 Ta4 -","2","0.0625","","Animitsa, I.E.; Titova, S.G.; Neiman, A.Ya.; Kochetova, N.A.; Bronin, D.I.; Isaeva, E.V.","Phase transitions in nonstoichiometric strontium tantalates with the cryolite structure","Kristallografiya","2002","47","","1060","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","159708","2020-10-21","18:00:00","" "1533506","5.501","","5.4744","","12.5783","","90","","90","","90","","378.791","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","(La1.95 Na0.05) (Ni O4)","","- La1.95 Na0.05 Ni O4 -","- La1.95 Na0.05 Ni O4 -","- La7.8 Na0.2 Ni4 O16 -","4","0.125","","Shivakumara, C.; Lalla, N.P.; Hegde, M.S.; Prakash, A.S.; Subbanna, G.N.; Khadar, A.M.A.","Low temperature synthesis, structure and properties of alkali-doped La2 Ni O4, La Ni O3 and La Ni0.85 Cu0.15 O3 from alkali hydroxide fluxes","Solid State Sciences","2003","5","","351","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1533603","5.654","","5.682","","13.643","","90","","90","","90","","438.295","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","K Cu2 Se2","","- Cu2 K Se2 -","- Cu2 K Se2 -","- Cu8 K4 Se8 -","4","0.125","","Tiedje, O.; Bensch, W.; Krasovskii, E.E.; Stoll, P.; Naether, C.; Schattke, W.","Bridging from (Th Cr2 Si2)-type materials to hexagonal dichalcogenides: an ab initio and experimental study of K Cu2 Se2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2003","67","","134105-1","134105-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534181","5.405","","5.442","","25.11","","90","","90","","90","","738.586","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bi3 Nb Ti O9","","- Bi3 Nb O9 Ti -","- Bi3 Nb O9 Ti -","- Bi12 Nb4 O36 Ti4 -","4","0.125","","Aurivillius, B.","Mixed bismuth oxides with layer lattices. I. The structure type of Ca Bi2 Nb2 O9","Arkiv foer Kemi","1949","1","","463","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534182","5.41","","5.448","","32.84","","90","","90","","90","","967.916","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Bi4 Ti3 O12","","- Bi4 O12 Ti3 -","- Bi4 O12 Ti3 -","- Bi16 O48 Ti12 -","4","0.125","","Aurivillius, B.","Mixed bismuth oxides with layer lattices. II. Structure of Bi4 Ti3 O12","Arkiv foer Kemi","1949","1","","499","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","160693","2020-10-21","18:00:00","" "1536319","7.2691","","7.0954","","12.452","","90","","90","","90","","642.239","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Mg Al2 F8 (H2 O)2","","- Al2 F8 H4 Mg O2 -","- Al2 F8 Mg O2 -","- Al8 F32 Mg4 O8 -","4","0.125","","Weil, M.; Werner, F.; Kubel, F.","Preparation, thermal behaviour and crystal structure of Mg Al2 F8 (H2 O)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2002","133","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536780","5.34","","5.34","","13.23","","90","","90","","90","","377.261","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 Cu O4.09","","- Cu La2 O4.09 -","- Cu La2 O4.058 -","- Cu4 La8 O16.232 -","4","0.125","","Radaelli, P.G.; Jorgensen, J.D.; Schultz, A.J.; Hunter, B.A.; Chou, F.C.; Wagner, J.L.; Johnston, D.C.","Structure of the superconducting La2 Cu O4+delta phases (delta= 0.08, 0.12) prepared by electrochemical oxidation","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","499","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536783","5.33794","","5.4106","","13.2155","","90","","90","","90","","381.683","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 Cu O4.12","","- Cu La2 O4.12 -","- Cu La2 O4.07 -","- Cu4 La8 O16.28 -","4","0.125","","Radaelli, P.G.; Wagner, J.L.; Jorgensen, J.D.; Hunter, B.A.; Schultz, A.J.; Chou, F.C.; Johnston, D.C.","Structure of the superconducting La2 Cu O4+delta phases (delta=0.08, 0.12) prepared by electrochemical oxidation","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","499","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537101","5.425","","5.49","","23.22","","90","","90","","90","","691.567","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Bi Pb Sr2 Fe O6.1","","- Bi Fe O6.1 Pb Sr2 -","- Bi Fe O6 Pb Sr2 -","- Bi4 Fe4 O24 Pb4 Sr8 -","4","0.125","","Fries, T.; Mayer von Kuerthy, G.; Ehmann, A.; Wischert, W.; Kemmler-Sack, S.","The system Bi Pb Sr2 Fe(1-x) T(x) O(6+z) (T= Co, Ni)","Journal of the Less-Common Metals","1990","159","","337","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537353","10.86","","13.6","","6.39","","90","","90","","90","","943.777","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Cs2 Pt3 S4 -","- Cs2 Pt3 S4 -","- Cs8 Pt12 S16 -","4","0.125","","Guenther, O.; Bronger, W.","Cs2 Pt3 S4 und Rb2 Pt3 S4, Synthese und Struktur","Journal of the Less-Common Metals","1973","31","","255","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1538252","6.39","","10.84","","13.3","","90","","90","","90","","921.259","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Pt3 Rb2 S4 -","- Pt3 Rb2 S4 -","- Pt12 Rb8 S16 -","4","0.125","","Gunther, O.; Bronger, W.","Cs2 Pt3 S4 und Rb2 Pt3 S4, Synthese und Struktur","Journal of the Less-Common Metals","1973","31","","255","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1539149","5.39","","5.39","","30.725","","90","","90","","90","","892.626","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Bi1.8 Ca1.2 Sr1.8 Cu2.2 O8.22","","- Bi1.8 Ca1.2 Cu2.2 O8.22 Sr1.8 -","- Bi1.8 Ca1.2 Cu2.2 O8.22 Sr1.8 -","- Bi7.2 Ca4.8 Cu8.8 O32.88 Sr7.2 -","4","0.125","","Sampathkumaran, E.V.; Shibuya, T.; Suzuki, A.; Kohn, K.; Tohdake, A.; Ishikawa, M.","Absence of solid solution of the type Y (Ba2-x Rex) Cu3 O7±s and its possible implications.","Japanese Journal of Applied Physics, Part 2","1988","27","","584","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","167973","2020-10-21","18:00:00","" "1539518","13.616","","18.238","","17.835","","90","","90","","90","","4428.94","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Na0.72 Ca4 (Al10 Si26 O72) (H2 O)29.12","","- Al10 Ca4 H58.24 Na0.72 O101.12 Si26 -","- Al10.0008 Ca4 Na0.72 O101.12 Si25.9992 -","- Al20.0016 Ca8 Na1.44 O202.24 Si51.9984 -","2","0.0625","","Akizuki, M.; Kudoh, Y.; Satoh, Y.","Crystal structure of the orthorhombic (001) growth sector of stilbite","European Journal of Mineralogy (1,1989-)","1993","5","","839","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1539581","9.641","","14.629","","9.01","","90","","90","","90","","1270.75","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Rb4 P6","","- P6 Rb4 -","- P6 Rb4 -","- P24 Rb16 -","4","0.125","","von Schnering, H.G.; Meyer, T.; Hoenle, W.; Schmettow, W.; Kliche, G.; Hinze, U.; Bauhofer, W.","Tetrarubidiumhexaphosphid und Tetracaesiumhexaphosphid: Darstellung, Struktur und Eigenschaften von Rb4 P6 und Cs4 P6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","261","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","168528","2020-10-21","18:00:00","" "1539583","9.972","","14.999","","9.438","","90","","90","","90","","1411.64","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","","","- Cs4 P6 -","- Cs4 P6 -","- Cs16 P24 -","4","0.125","","von Schnering, H.G.; Hoenle, W.; Meyer, T.; Hinze, U.; Schmettow, W.; Kliche, G.; Bauhofer, W.","Tetrarubidiumhexaphosphid und Tetracaesiumhexaphosphid: Darstellung, Struktur und Eigenschaften von Rb4 P6 und Cs4 P6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","261","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1540178","5.4614","","5.4723","","12.7138","","90","","90","","90","","379.97","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- La2 Ni O4.18 -","- La2 Ni O4.14 -","- La8 Ni4 O16.56 -","4","0.125","","Jorgensen, J.D.; Dabrowski, B.; Richards, D.R.; Pei, S.; Hinks, D.G.","Structure of the interstitial oxygen defect in La2 Ni O4+delta","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","40","","2187","2199","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1541087","5.4604","","5.4848","","23.2038","","90","","90","","90","","694.935","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Tl2 Ba2 Cu O6.1","","- Ba2 Cu O6.1 Tl2 -","- Ba2 Cu O6.1 Tl2 -","- Ba8 Cu4 O24.4 Tl8 -","4","0.125","","Parise, J.B.; Torardi, C.C.; Subramanian, M.A.; Gopalakrishnan, J.; Sleight, A.W.; Prince, E.","Superconducting Tl2 Ba2 Cu O6+d: A high resolution neutron powder and single crystal x-ray diffraction investigation","Physica C (Amsterdam)","1989","159","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1541710","5.752","","11.294","","16.689","","90","","90","","90","","1084.17","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Na.76 Zn1.76 Ti2.24 O6.24 F.76","","- F0.76 Na0.76 O6.24 Ti2.24 Zn1.76 -","- F0.77 Na0.76 O6.23 Ti2.24 Zn1.76 -","- F6.16 Na6.08 O49.84 Ti17.92 Zn14.08 -","8","0.25","","Mayer, M.; de Roy, A.; Perez, G.","Etude structurale de la phase Na1-x Zn2-x Ti2+x O6+x F1-x","Revue de Chimie Minerale","1976","13","","540","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","173151","2020-10-21","18:00:00","" "1546304","22.232","0.006","15.058","0.004","13.627","0.004","90","","90","","90","","4562","2","","","293","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C5 H13 N O44 Si22 -","- C9 O44 Si22 -","- C36 O176 Si88 -","4","0.125","","Marler, B.; Dehnbostel, N.; Eulert, H. -H.; Gies, H.; Liebau, F.","Studies on clathrasils VIII. Nonasils-[4158], 88SiO2.8M8.8M9.4M20 : synthesis, thermal properties, and crystal structure","Journal of Inclusion Phenomena","1986","4","","339","349","10.1007/BF00656161","","x-ray","0.71069","MoKα","","","","","","0.125","","","","","","","","","","","has coordinates","197766","2020-10-21","18:00:00","" "1552287","10.7494","0.0011","16.2516","0.0015","18.7137","0.0018","90","","90","","90","","3269.2","0.5","298","2","298","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C18 H10 N O4 Zn -","- C18 H10 N O4 Zn -","- C144 H80 N8 O32 Zn8 -","8","0.25","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0903","0.0719","","","0.1782","0.1945","","","","","","1.076","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00","" "1552288","10.7054","0.0007","16.2225","0.0011","18.7784","0.0012","90","","90","","90","","3261.2","0.4","298","2","298","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C18 H10 N O4 Zn -","- C17.5 H10 N O4 Zn -","- C140 H80 N8 O32 Zn8 -","8","0.25","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0931","0.0713","","","0.1882","0.207","","","","","","1.06","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00","" "1552367","5.429","0.005","5.42","0.006","12.582","0.005","90","","90","","90","","370.2","0.6","","","298","","","","100","","","","","4","F m m m","-F 2 2","69","Pr2Ni0.4Cu0.6O4 T phase","","Pr2Ni0.4Cu0.6O4","- Cu0.6 Ni0.4 O4 Pr2 -","- Cu0.4 Ni0.6 O4 Pr2 -","- Cu1.6 Ni2.4 O16 Pr8 -","4","0.125","","Wang, C.; Soga, H.; Yugi, T.; Sakai, M.; Okiba, T.; Hashimoto, T.","Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd, Sm, Eu, and their solid solution) based on type of Ln: Relationship between crystal structure and tolerance factor","Journal of the Ceramic Society of Japan","2019","127","","678","687","10.2109/jcersj2.19028","","","","","","","","","","","","","","","","","","","","","has coordinates","219049","2020-10-21","18:00:00","" "1562674","4.687","0.002","9.9995","0.0014","14.14","0.002","90","","90","","90","","662.7","0.3","293","","293","","","","","","","","","2","F m m m","-F 2 2","69","","","","- Cd6.589 Pd2.054 -","- Cd6.96 Pd2.04 -","- Cd27.84 Pd8.16 -","4","0.125","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0885","0.0574","","0.1622","0.1456","","","","1.47","1.58","1.58","","","","","has coordinates","265306","2021-05-18","09:42:14","" "2002590","8.4229","0.0022","11.4418","0.0032","14.4063","0.0047","90","","90","","90","","1388.4","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Sodium dibarium dicopper copper(III) oxide","","- Ba2 Cu3 Na O6 -","- Ba2 Cu3 Na O6 -","- Ba16 Cu24 Na8 O48 -","8","0.25","","Tams, G; Mueller-Buschbaum, Hk","Das erste Alkali-Erdalkali-Oxocuprat (II,III): Na Ba2 (Cu2+)2 (Cu3+) O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","19","22","10.1002/zaac.19926170103","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002614","8.717","0.002","11.47","0.03","14.933","0.007","90","","90","","90","","1493.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Calcium dibarium tripalladium oxide","","- Ba2 Ca O6 Pd3 -","- Ba2 Ca O6 Pd3 -","- Ba16 Ca8 O48 Pd24 -","8","0.25","","Sonne, P; Mueller-Buschbaum, Hk","Zur Kenntnis eines Erdalkalimetall-Oxopalladats(II) mit ringfoermigen Pd6 O12-Baugruppen: Ca Ba2 Pd3 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1004","1006","10.1002/zaac.19936190608","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002617","8.31","0.008","11.22","0.002","14.397","0.006","90","","90","","90","","1342.4","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Dibarium sodium dinickel nickel(III) oxide","","- Ba2 Na Ni3 O6 -","- Ba2 Na Ni3 O6 -","- Ba16 Na8 Ni24 O48 -","8","0.25","","Strunk, M; Mueller-Buschbaum, Hk","Das erste Alkali-Erdalkalimetall-Oxoniccolat(II,III): Na Ba2 (Ni2+)2 (Ni3+) O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","343","346","10.1002/zaac.19936190219","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002666","8.219","0.002","11.52","0.002","14.284","0.003","90","","90","","90","","1352.5","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Lithium dibarium dicopper copper(III) oxide","","- Ba2 Cu3 Li O6 -","- Ba2 Cu3 Li O6 -","- Ba16 Cu24 Li8 O48 -","8","0.25","","Tams, G; Mueller-Buschbaum, Hk; Lang, Ch","Notiz zur Kristallchemie von Li Ba2 Cu3 O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","681","683","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2101124","5.02","0.001","7.711","0.004","58.6","0.2","90.8","0.2","89.6","","90.01","0.05","2268","8","","","","","","","","","","","","2","F m m m","-F 2 2","","","","","- C42 H88 -","- C88 -","- C352 -","4","0.125","LI0147","Gerson, A. R.; Nyburg, S. C.","Structures of two binary n-alkane solid solutions","Acta Crystallographica Section B","1994","50","2","252","256","10.1107/S0108768193009504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2106152","11.4712","","13.3765","","3.9316","","90","","90","","90","","603.282","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","((Bi0.04 Sr0.96)2 Cu2 O3)4","","- Bi0.32 Cu4 O8 Sr7.68 -","- Bi0.32 Cu4 O12 Sr7.68 -","- Bi0.32 Cu4 O12 Sr7.68 -","1","0.03125","","Jensen, A.F.; Petricek, V.; Larsen, F.K.; McCarron, E.M.","Importance of the true satellite reflections in the analysis of modulated, composite crystal structures. II. The structur structure of (M2' Cu2 O3)7 (Cu O2)10, M'= Bi0.04 Sr0.96","Acta Crystallographica B (39,1983-)","1997","53","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145412","2020-10-21","18:00:00","" "2106599","11.219","","10.728","","10.685","","90","","90","","90","","1286.02","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","K2 Ba (Cu (N O2)6)","","- Ba Cu K2 N6 O12 -","- Ba Cu K2 N6 O12 -","- Ba4 Cu4 K8 N24 O48 -","4","0.125","","Takagi, S.; Joesten, M.D.","Potassium barium hexanitrocuprate(II) at 295 K","Acta Crystallographica B (24,1968-38,1982)","1975","31","","596","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106600","10.4301","","10.4621","","10.9368","","90","","90","","90","","1193.43","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","K2 Sr (Cu (N O2)6)","","- Cu K2 N6 O12 Sr -","- Cu K2 N6 O12 Sr -","- Cu4 K8 N24 O48 Sr4 -","4","0.125","","Takagi, S.; Joesten, M.D.; Lenhert, P.G.","Potassium strontium hexanitrocuprate(II) and potassium strontium hexanitronickelate(II)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2524","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106877","4.2151","","2.9567","","6.6897","","90","","90","","90","","83.372","","","","","","","","","","","","Synthetic","1","F m m m","-F 2 2","69","","","Oxygen","- O2 -","- O2 -","- O8 -","4","0.125","","Schiferl, D.; Cromer, D.T.; Schwalbe, L.A.; Mills, R.L.","Structure of 'Orange' 18O2 at 9.6 GPa and 297 K","Acta Crystallographica B (39,1983-)","1983","39","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2106890","10.8296","","10.8196","","10.6113","","90","","90","","90","","1243.35","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Rb2 Pb (Cu (N O2)6)","","- Cu N6 O12 Pb Rb2 -","- Cu N6 O12 Pb Rb2 -","- Cu4 N24 O48 Pb4 Rb8 -","4","0.125","","Takagi, S.; Joesten, M.D.; Lenhert, P.G.","The structure of two crystals of rubidium lead hexanitrocuprate(II)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1278","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2229261","10.1034","0.0005","15.5046","0.0008","17.5503","0.0008","90","","90","","90","","2749.2","0.2","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium uranium(IV) tripalladium(II) hexaselenide","","- Cs2 Pd3 Se6 U -","- Cs2 Pd3 Se6 U -","- Cs16 Pd24 Se48 U8 -","8","0.25","WM2437","Oh, George N.; Ibers, James A.","Cs~2~UPd~3~Se~6~","Acta Crystallographica Section E","2011","67","2","i9","","10.1107/S1600536810053924","","","0.71073","MoKα","","0.0209","0.0194","","","0.0541","0.0545","","","","","","1.464","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "3000393","13.6261","0.0004","17.9186","0.0005","17.709","0.0005","90","","90","","90","","4323.8","0.2","673","2","673","2","","","","","","","","3","F m m m","-F 2 2","","Pb-stellerite","","","- O153.94 Pb11.41 Si72 -","","","","","","Cametti, Georgia; Roos, Diana; Prieur, Damien; Scheinost, Andreas; Churakov, Sergey","","To be published in Scientific Reports","","","","","","","","","0.71073","MoKα","","0.0749","0.0607","","","0.152","0.1614","","","","","","1.055","","","","","276107","2022-06-20","14:48:31","2022-11-20" "3000394","13.6119","0.0007","18.1833","0.0009","17.846","0.001","90","","90","","90","","4417.1","0.4","296","2","296","2","","","","","","","","3","F m m m","-F 2 2","","Pb-stellerite","","","- O207.83 Pb12.33 Si72 -","","","","","","Cametti, Georgia; Roos, Diana; Prieur, Damien; Scheinost, Andreas; Churakov, Sergey","","To be published in Scientific Reports","","","","","","","","","0.71073","MoKα","","0.0926","0.0656","","","0.1689","0.1834","","","","","","1.063","","","","","276108","2022-06-20","14:49:30","2022-11-20" "4000747","6.3028","0.00029","6.25587","0.00023","5.81797","0.00007","90","","90","","90","","229.4","0.014","20","","20","","","","","","","","","2","F m m m","-F 2 2","69","","","","- O6.88 Rb4 -","- O6.88 Rb4 -","- O6.88 Rb4 -","1","0.03125","","Riyadi, Syarif; Giriyapura, Shivakumara; de Groot, Robert A.; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.; Blake, Graeme R.","Ferromagnetic Order from p-Electrons in Rubidium Oxide","Chemistry of Materials","2011","23","6","1578","","10.1021/cm103433r","powder diffraction","x-ray","1.54059","","","","","","","","","0.0382","","0.33","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4002516","2.801","","6.29","","10.573","","90","","90","","90","","186.278","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Ca0.82 (Cu0.65 Co0.35 O2)","","- Co0.35 Cu0.65 O2 -","- Co0.35 Cu0.65 O2 -","- Co1.4 Cu2.6 O8 -","4","0.125","","Lambert, S.; Grebille, D.","A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)","Chemistry of Materials (1,1989-)","2002","14","","4904","4909","","","","","","","","","","","","","","","","","","","","","","has coordinates","157206","2020-10-21","18:00:00","" "4002517","3.391","","6.29","","10.573","","90","","90","","90","","225.516","","","","","","","","","","","","","1","F m m m","-F 2 2","69","","Ca0.82 (Cu0.65 Co0.35 O2)","","- Ca0.82 -","- Ca0.82 -","- Ca3.28 -","4","0.125","","Lambert, S.; Grebille, D.","A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)","Chemistry of Materials (1,1989-)","2002","14","","4904","4909","","","","","","","","","","","","","","","","","","","","","","has coordinates","157209","2020-10-21","18:00:00","" "4003033","16.1063","0.0007","28.5501","0.0008","40.9518","0.0009","90","","90","","90","","18831.1","1.1","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114-Water","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0772","0.073","","","0.1992","0.2035","","","","","","1.042","","","","has coordinates,has disorder","220452","2020-10-21","18:00:00","" "4003035","16.0688","0.0007","28.8004","0.0015","41.0306","0.0017","90","","90","","90","","18988.5","1.5","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0474","0.0444","","","0.1427","0.1457","","","","","","1.13","","","","has coordinates,has disorder","220454","2020-10-21","18:00:00","" "4101528","27.7508","0.0005","25.2969","0.0007","13.7923","0.0004","90","","90","","90","","9682.3","0.3","298","","","","","","","","","","Synthetic","2","F m m m","-F 2 2","69","ITQ-27","silicogermanate","","- O38 Si19 -","- O38 Si19 -","- O304 Si152 -","8","0.25","","Dorset, Douglas L; Kennedy, Gordon J; Strohmaier, Karl G; Diaz-Cabañas, Maria J; Rey, Fernando; Corma, Avelino","P-derived organic cations as structure-directing agents: synthesis of a high-silica zeolite (ITQ-27) with a two-dimensional 12-ring channel system.","Journal of the American Chemical Society","2006","128","27","8862","8867","10.1021/ja061206o","powder diffraction","x-ray","0.8702","","","","","","","","","0.11785","","1.95","","","","","","","has coordinates,has Fobs","178761","2020-10-21","18:00:00","" "4106749","25.042","0.004","26.826","0.004","30.848","0.005","90","","90","","90","","20723","6","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 Cu4 O24 -","- C42 H22 Cu4 O24 -","- C336 H176 Cu32 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.0986","0.0762","","","0.2391","0.252","","","","","","1.001","","","","has coordinates","178813","2020-10-21","18:00:00","" "4106751","22.751","0.008","28.318","0.01","57.36","0.02","90","","90","","90","","36955","2","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C69 H45 Cu4 N9 O24 -","- C69 H45 Cu4 N9 O24 -","- C552 H360 Cu32 N72 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.1476","0.087","","","0.2059","0.2227","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00","" "4108192","13.055","0.001","21.179","0.002","21.966","0.002","90","","90","","90","","6073.4","0.9","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C13 H27 Co Mo11 N8 O44 P -","- C13 H20 Co Mo11 N8 O44 P -","- C52 H80 Co4 Mo44 N32 O176 P4 -","4","0.125","","Guanggang Gao; Fengyan Li; Lin Xu; Xizheng Liu; Yanyan Yang","CO2 Coordination by Inorganic Polyoxoanion in Water","Journal of the American Chemical Society","2008","130","","10838","10839","10.1021/ja801560t","","","0.71073","MoKα","","0.0466","0.0387","","","0.103","0.1097","","","","","","1.011","","","","has coordinates","178827","2020-10-21","18:00:00","" "4108193","13.039","0.001","21.333","0.002","21.889","0.002","90","","90","","90","","6088.7","0.9","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C13 H28 Co Mo11 N8 O44 Si -","- C13 H20 Co Mo11 N8 O44 Si -","- C52 H80 Co4 Mo44 N32 O176 Si4 -","4","0.125","","Guanggang Gao; Fengyan Li; Lin Xu; Xizheng Liu; Yanyan Yang","CO2 Coordination by Inorganic Polyoxoanion in Water","Journal of the American Chemical Society","2008","130","","10838","10839","10.1021/ja801560t","","","0.71073","MoKα","","0.0621","0.0561","","","0.1118","0.1383","","","","","","1.051","","","","has coordinates","178827","2020-10-21","18:00:00","" "4114464","10.6131","0.0003","11.0639","0.0003","27.486","0.0007","90","","90","","90","","3227.47","0.15","100","2","100","2","","","","","","","","2","F m m m","-F 2 2","69","[2.2]paracyclophane-1-ene","tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11-heptaene","","- C16 H14 -","- C16 H14 -","- C192 H168 -","12","0.375","","Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit","Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study","Journal of the American Chemical Society","2003","125","","15110","15113","10.1021/ja0374628","","","0.71073","MoKα","","0.0537","0.0419","","","0.112","0.1237","","","","","","1.07","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00","" "4114465","10.7675","0.0008","11.155","0.0008","27.708","0.002","90","","90","","90","","3328","0.4","293","2","293","2","","","","","","","","2","F m m m","-F 2 2","69","[2.2]paracyclophane-1-ene","tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11- heptaene","","- C16 H14 -","- C16 H14 -","- C192 H168 -","12","0.375","","Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit","Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study","Journal of the American Chemical Society","2003","125","","15110","15113","10.1021/ja0374628","","","0.71073","MoKα","","0.0812","0.0453","","","0.115","0.1401","","","","","","1.01","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00","" "4116341","12.0455","0.0012","7.271","0.0012","16.0707","0.0015","90","","90","","90","","1407.5","0.3","298","1","298","1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0549","0.0398","","","0.101","0.1057","","","","","","1.076","","","","has coordinates","178934","2020-10-21","18:00:00","" "4116344","12.0551","0.0006","7.2825","0.0006","16.0779","0.0007","90","","90","","90","","1411.5","0.15","298","1","298","1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0593","0.0382","","0.1032","0.0914","","","","1.087","1.116","1.116","","","","","has coordinates","178934","2020-10-21","18:00:00","" "4116346","12.0551","0.0012","7.2846","0.0012","16.0766","0.0014","90","","90","","90","","1411.8","0.3","298","1","293","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0435","0.0301","","","0.0773","0.0827","","","","","","1.075","","","","has coordinates","178934","2020-10-21","18:00:00","" "4118146","24.4424","0.0012","29.282","0.002","30.7048","0.0013","90","","90","","90","","21976","2","293","2","293","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C64 H56 Cl3 Mn6 N8 O24 -","- C64 H48 Cl3 Mn6 N8 O24 -","- C512 H384 Cl24 Mn48 N64 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.101","0.0766","","","0.1891","0.2104","","","","","","1.259","","","","has coordinates","178952","2020-10-21","18:00:00","" "4118147","24.0125","0.0012","28.8745","0.0017","31.348","0.002","90","","90","","90","","21735","2","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H36 Cl2 Mn5 N4 Ni O24 -","- C52 H20 Cl2 Mn5 N4 Ni O24 -","- C416 H160 Cl16 Mn40 N32 Ni8 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.1142","0.098","","","0.2277","0.2472","","","","","","1.017","","","","has coordinates","178952","2020-10-21","18:00:00","" "4118148","24.135","0.007","29.2","0.009","31.833","0.009","90","","90","","90","","22434","11","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H32 Cd5 Cl3 Mn N4 O22 -","- C52 H20 Cd5 Cl3 Mn N4 O22 -","- C416 H160 Cd40 Cl24 Mn8 N32 O176 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.2568","0.1054","","","0.1821","0.2231","","","","","","0.804","","","","has coordinates","178952","2020-10-21","18:00:00","" "4120365","61.994","0.012","61.977","0.012","61.977","0.012","90","","90","","90","","238128","8","296","2","296","2","","","","","","","","7","F m m m","-F 2 2","69","M12L24 sphere 2b from ligand 1b and Pd2+","","","- C456 H264 B18 F36 N72 O267.2 Pd12 -","- C456 H264 B18 F36 N72 O267.2 Pd12 -","- C1824 H1056 B72 F144 N288 O1068.8 Pd48 -","4","0.125","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","1","synchrotron","","0.3084","0.2432","","","0.543","0.5713","","","","","","2.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4123009","5.6139","0.0001","5.5746","0.0001","12.9594","0.0003","90","","90","","90","","405.568","0.014","100","","100","","","","","","","","","3","F m m m","-F 2 2","69","Barium Iron Arsenide","","","- As2 Ba Fe2 -","- As2 Ba Fe2 -","- As8 Ba4 Fe8 -","4","0.125","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0336","0.0336","","","0.028","0.028","","","1.82","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4123010","5.5864","0.0002","5.5564","0.0002","13.061","0.006","90","","90","","90","","405.42","0.19","100","","100","","","","","","","","","4","F m m m","-F 2 2","69","Barium Potassium Iron Arsenide","","","- As2 Ba0.84 Fe2 K0.16 -","- As2 Ba0.838 Fe2 K0.162 -","- As8 Ba3.352 Fe8 K0.648 -","4","0.125","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0369","0.0369","","","0.037","0.037","","","1.97","","","","","","","has coordinates","179032","2020-10-21","18:00:00","" "4124531","13.533","","17.925","","17.651","","90","","90","","90","","4281.76","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Si72 O144","","- O144 Si72 -","- O144 Si72 -","- O144 Si72 -","1","0.03125","","Hong Suk Bong; Wright, P.A.; Lear, E.G.; Zhou Wuzong; Nam In-Sik; Cox, P.A.; Park Joo-Hyoung; Shin Chaeho","Synthesis, structure solution, characterization and catalytic properties of TNU-10: a high-silica zeolite with the STI topology","Journal of the American Chemical Society","2004","126","","5817","5826","","","","","","","","","","","","","","","","","","","","","","has coordinates","158450","2020-10-21","18:00:00","" "4124839","25.92","0.005","28.56","0.006","40.27","0.008","90","","90","","90","","29811","10","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 O20 Zn4 -","- C64 H34 O20 Zn4 -","- C512 H272 O160 Zn32 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","0.91841","","","0.1424","0.1413","","","0.4933","0.4954","","","","","","2.653","","","","has coordinates","177407","2020-10-21","18:00:00","" "4124840","25.616","0.002","28.157","0.003","40.549","0.004","90","","90","","90","","29247","5","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 Cu4 O20 -","- C64 H34 Cu4 O20 -","- C512 H272 Cu32 O160 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","1.0402","","","0.1519","0.1463","","","0.4529","0.4608","","","","","","2.011","","","","has coordinates","177407","2020-10-21","18:00:00","" "4125773","20.0327","0.0003","20.7974","0.0005","27.9988","0.0005","90","","90","","90","","11665.1","0.4","100","0.11","100","0.11","","","","","","","","7","F m m m","-F 2 2","69","","","","- C76 H44 B F4 N12 O2 Pd2 -","- C76 H44 B F4 N12 O2 Pd2 -","- C304 H176 B4 F16 N48 O8 Pd8 -","4","0.125","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.54184","CuKα","","0.0647","0.0627","","","0.2053","0.2105","","","","","","0.996","","","","has coordinates","193147","2020-10-21","18:00:00","" "4126721","19.097","0.003","32.141","0.004","35.122","0.005","90","","90","","90","","21558","5","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H30 O16 Zr3 -","- C40 H30 O16 Zr3 -","- C320 H240 O128 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.099","0.0858","","","0.2413","0.2534","","","","","","0.996","","","","has coordinates","203088","2020-10-21","18:00:00","" "4126722","18.018","0.003","33.1022","0.0012","35.0246","0.0011","90","","90","","90","","20890","4","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H28 O18 Zr3 -","- C40 H28 O18 Zr3 -","- C320 H224 O144 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.1035","0.0642","","","0.2018","0.2306","","","","","","0.955","","","","has coordinates","203088","2020-10-21","18:00:00","" "4126729","16.6619","0.0014","32.7171","0.0009","35.7812","0.0008","90","","90","","90","","19505.4","1.8","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C40 H30 N O16 Zr3 -","- C40 H30 N O16 Zr3 -","- C320 H240 N8 O128 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0548","0.0438","","","0.1159","0.1206","","","","","","0.902","","","","has coordinates","203088","2020-10-21","18:00:00","" "4128031","14.819","0.003","35.924","0.003","45.003","0.002","90","","90","","90","","23958","5","100","10","100","10","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C448 H240 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54184","CuKα","","0.1513","0.0766","","","0.2052","0.2531","","","","","","0.754","","","","has coordinates","221169","2020-10-21","18:00:00","" "4128035","19.721","0.005","31.9499","0.0015","34.865","0.0015","90","","90","","90","","21968","6","99.97","0.14","99.97","0.14","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O16 Zr3 -","- C40 H22 O16 Zr3 -","- C320 H176 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","0.71","MoKα","","0.141","0.1076","","","0.2795","0.3029","","","","","","0.938","","","","has coordinates","221169","2020-10-21","18:00:00","" "4128036","21.1397","0.0009","32.4825","0.0008","33.8974","0.0009","90","","90","","90","","23276.3","1.3","100","0.1","100","0.1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C184 H136 O64 Zr12 -","- C184 H136 O64 Zr12 -","- C368 H272 O128 Zr24 -","2","0.0625","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0726","0.0654","","","0.1664","0.1716","","","","","","0.965","","","","has coordinates,has disorder","221169","2020-10-21","18:00:00","" "4134953","16.031","0.002","36.971","0.005","44.102","0.005","90","","90","","90","","26138","6","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O20 Zr3 -","- C56 H30 O20 Zr3 -","- C448 H240 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.1093","0.0764","","","0.1983","0.2325","","","","","","1.064","","","","has coordinates","252594","2020-10-21","18:00:00","" "4134954","18.1834","0.0015","33.744","0.002","34.489","0.002","90","","90","","90","","21162","2","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O20 Zr3 -","- C40 H22 O20 Zr3 -","- C320 H176 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.0871","0.0547","","","0.172","0.1961","","","","","","1.128","","","","has coordinates","252594","2020-10-21","18:00:00","" "4301649","8.4929","0.001","14.912","0.002","17.08","0.002","90","","90","","90","","2163.1","0.5","293","2","293","2","","","","","","","","2","F m m m","-F 2 2","69","Sm Ga3.64","samarium-gallium","","- Ga3.57 Sm0.98 -","- Ga3.569 Sm0.982 -","- Ga85.656 Sm23.568 -","24","0.75","","Monique Tillard; David Zitoun; Claude Belin","Structural Versatility of the ε-SmGax Phase: X-Ray, Electron Diffraction, and DFT Studies","Inorganic Chemistry","2009","48","","2399","2406","10.1021/ic801379c","","x-ray","0.7107","MoKα","","0.0502","0.0394","","","0.1036","0.1064","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00","" "4301727","16.516","0.002","17.417","0.004","19.897","0.003","90","","90","","90","","5723.6","1.7","120","1","120","1","","","","","","","","6","F m m m","-F 2 2","69","","","","- C64 H74 N2 O4 P2 U -","- C64.08 N2 O4 P2 U -","- C256.32 N8 O16 P8 U4 -","4","0.125","","Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella","Uranium(VI) Bis(imido) Chalcogenate Complexes: Synthesis and Density Functional Theory Analysis","Inorganic Chemistry","2009","48","","2693","2700","10.1021/ic802212m","","","0.71073","MoKα","","0.0279","0.0279","","","0.0714","0.0714","","","","","","1.099","","","","has coordinates","179055","2020-10-21","18:00:00","" "4303974","13.043","0.002","21.364","0.003","21.676","0.003","90","","90","","90","","6040","1.5","185","2","185","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C18 H50 Co Mo12 N12 O50 -","- C18 H30 Co Mo12 N12 O50 -","- C72 H120 Co4 Mo48 N48 O200 -","4","0.125","","Guang-Gang Gao; Lin Xu; Wen-Ju Wang; Xiao-Shu Qu; Hong Liu; Yan-Yan Yang","Cobalt(II)/Nickel(II)-Centered Keggin-Type Heteropolymolybdates: Syntheses, Crystal Structures, Magnetic and Electrochemical Properties","Inorganic Chemistry","2008","47","","2325","2333","10.1021/ic700797v","","","0.71073","MoKα","","0.1114","0.059","","","0.1264","0.144","","","","","","0.957","","","","has coordinates,has disorder","179077","2020-10-21","18:00:00","" "4316828","8.577","0.004","14.855","0.01","9.002","0.004","90","","90","","90","","1147","1.1","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au Eu2 Ge3 -","- Au Eu2 Ge3 -","- Au8 Eu16 Ge24 -","8","0.25","","C. Peter Sebastian; Christos D. Malliakas; Maria Chondroudi; Inga Schellenberg; Sudhindra Rayaprol; Rolf-Dieter Hoffmann; Rainer Pöttgen; Mercouri G. Kanatzidis","Indium Flux-Growth of Eu2AuGe3: A New Germanide with an AlB2 Superstructure","Inorganic Chemistry","2010","49","","9574","9580","10.1021/ic101340a","","","0.71073","MoKα","","0.0421","0.0283","","","0.032","0.0345","","","","","","0.659","","","","has coordinates","179248","2020-10-21","18:00:00","" "4323205","17.7425","0.0006","17.76","0.0006","17.7669","0.0006","90","","90","","90","","5598.5","0.3","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C4 H10 B11 Br12 N -","- C3 H9 B12 Br12 N -","- C24 H72 B96 Br96 N8 -","8","0.25","","Zuowei Xie; Chi-Wing Tsang; Eric Tung-Po Sze; Qingchuan Yang; Dominic T. W. Chan; Thomas C. W. Mak","Highly Chlorinated, Brominated, and Iodinated Icosahedral Carborane Anions: 1-H-CB11X11-, 1-CH3-CB11X11- (X = Cl, Br, I); 1-Br-CB11Br11-","Inorganic Chemistry","1998","37","","6444","6451","10.1021/ic9805628","","","0.71073","MoKα","","0.0857","0.0314","","0.1016","0.0692","","","","0.905","0.99","0.99","","","","","has coordinates","179335","2020-10-21","18:00:00","" "4326062","9.6349","0.0009","26.235","0.003","28.821","0.004","90","","90","","90","","7285.1","1.5","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","Zn2(adb)2(dabco)","","","- C31 H22 N O4 Zn -","- C31 H22 N O4 Zn -","- C248 H176 N8 O32 Zn8 -","8","0.25","","Ines Maria Hauptvogel; Ralf Biedermann; Nicole Klein; Irena Senkovska; Amandine Cadiau; Dirk Wallacher; Ralf Feyerherm; Stefan Kaskel","Flexible and Hydrophobic Zn-Based Metal-Organic Framework","Inorganic Chemistry","2011","50","","8367","8374","10.1021/ic200937u","","","0.71073","MoKα","","0.0888","0.06","","","0.1365","0.1458","","","","","","0.944","","","","has coordinates","179363","2020-10-21","18:00:00","" "4328807","10.0904","0.0005","15.3859","0.0007","17.5882","0.0008","90","","90","","90","","2730.6","0.2","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium triplatinum(II) uranium(IV) selenide","","- Cs2 Pt3 Se6 U -","- Cs2 Pt3 Se6 U -","- Cs16 Pt24 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0222","0.0198","","","0.0386","0.0391","","","","","","1.282","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328808","9.7924","0.0008","14.8937","0.0008","17.0164","0.0015","90","","90","","90","","2481.8","0.3","101","2","101","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- Cs2 Pt3 S6 U -","- Cs2 Pt3 S6 U -","- Cs16 Pt24 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0275","0.0259","","","0.0661","0.0664","","","","","","1.667","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328809","10.1034","0.0005","15.5046","0.0008","17.5503","0.0008","90","","90","","90","","2749.2","0.2","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium tripalladium(II) uranium(IV) selenide","","- Cs2 Pd3 Se6 U -","- Cs2 Pd3 Se6 U -","- Cs16 Pd24 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0209","0.0194","","","0.0541","0.0545","","","","","","1.464","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328810","9.7874","0.0004","15.0077","0.0004","16.9773","0.0007","90","","90","","90","","2493.73","0.16","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium tripalladium(II) uranium(IV) sulfide","","- Cs2 Pd3 S6 U -","- Cs2 Pd3 S6 U -","- Cs16 Pd24 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0259","0.0247","","","0.0626","0.0629","","","","","","1.269","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328811","10.0467","0.0001","14.7861","0.0001","17.4663","0.0002","90","","90","","90","","2594.65","0.04","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium triplatinum(II) uranium(IV) selenide","","- Pt3 Rb2 Se6 U -","- Pt3 Rb2 Se6 U -","- Pt24 Rb16 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0247","0.0194","","","0.0375","0.0386","","","","","","1.201","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328812","9.7554","0.001","14.2286","0.001","16.8974","0.0019","90","","90","","90","","2345.5","0.4","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium triplatinum(II) uranium(IV) sulfide","","- Pt3 Rb2 S6 U -","- Pt3 Rb2 S6 U -","- Pt24 Rb16 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0158","0.0155","","","0.0434","0.0434","","","","","","2.072","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328813","10.0525","0.0003","14.8432","0.0005","17.4127","0.0005","90","","90","","90","","2598.17","0.14","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium tripalladium(II) uranium(IV) selenide","","- Pd3 Rb2 Se6 U -","- Pd3 Rb2 Se6 U -","- Pd24 Rb16 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0215","0.0214","","","0.0656","0.0656","","","","","","2.121","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328814","9.7462","0.0002","14.3306","0.0002","16.8572","0.0003","90","","90","","90","","2354.43","0.07","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium tripalladium(II) uranium(IV) sulfide","","- Pd3 Rb2 S6 U -","- Pd3 Rb2 S6 U -","- Pd24 Rb16 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0254","0.0236","","","0.0587","0.0591","","","","","","1.458","","","","has coordinates","179391","2020-10-21","18:00:00","" "4328815","9.7256","0.0005","13.8721","0.0006","16.7541","0.0008","90","","90","","90","","2260.37","0.19","89","2","89","2","","","","","","","","4","F m m m","-F 2 2","69","","Dipotassium tripalladium(II) uranium(IV) sulfide","","- K2 Pd3 S6 U -","- K2 Pd3 S6 U -","- K16 Pd24 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0513","0.0501","","","0.1315","0.1327","","","","","","1.097","","","","has coordinates","179391","2020-10-21","18:00:00","" "4330638","8.5124","0.0017","14.73","0.003","8.4995","0.0017","90","","90","","90","","1065.7","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au1.03 Ge2.97 Yb2 -","- Au1.028 Ge2.972 Yb2 -","- Au8.224 Ge23.776 Yb16 -","8","0.25","","Sebastian C. Peter; Sumanta Sarkar; Mercouri G. Kanatzidis","Metallic Yb2AuGe3: An Ordered Superstructure in the AlB2-Type Family with Mixed-Valent Yb and a High-Temperature Phase Transition","Inorganic Chemistry","2012","51","","10793","10799","10.1021/ic301197w","","","0.71073","MoKα","","0.0567","0.0544","","","0.1201","0.1212","","","","","","1.188","","","","has coordinates","179409","2020-10-21","18:00:00","" "4334421","5.5813","0.0003","9.5476","0.0005","35.1578","0.0002","90","","90","","90","","1873.49","0.14","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- B6 Eu5 Pt18 -","- B5 Eu5 Pt18 -","- B20 Eu20 Pt72 -","4","0.125","","Leonid Salamakha; Ernst Bauer; Gerfried Hilscher; Herwig Michor; Oksana Sologub; Peter Rogl; Gerald Giester","Structural and Physical Properties Diversity of New CaCu5-Type Related Europium Platinum Borides","Inorganic Chemistry","2013","52","","4185","4197","10.1021/ic301548w","","","0.71073","MoKα","","0.0498","0.0331","","","0.0772","0.0832","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00","" "4335811","8.7069","0.0017","15.011","0.003","8.8803","0.0018","90","","90","","90","","1160.6","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Ag1.19 Eu2 Ge2.81 -","- Ag1.188 Eu2 Ge2.812 -","- Ag9.504 Eu16 Ge22.496 -","8","0.25","","Sumanta Sarkar; Sebastian C. Peter","Structural Phase Transitions in a New Compound Eu2AgGe3","Inorganic Chemistry","2013","52","","9741","9748","10.1021/ic400369a","","","0.71073","MoKα","","0.0649","0.056","","","0.1544","0.1603","","","","","","1.275","","","","has coordinates","179461","2020-10-21","18:00:00","" "4339052","11.6604","0.0014","13.658","0.002","13.7802","0.0017","90","","90","","90","","2194.6","0.5","200","","","","","","","","","","","4","F m m m","-F 2 2","69","","","","- As2 Ba F22 Xe5 -","- As2 Ba F22 Xe5 -","- As8 Ba4 F88 Xe20 -","4","0.125","","Gerken, Michael; Hazendonk, Paul; Iuga, Adriana; Nieboer, Jared; Tramsek, Melita; Goreshnik, Evgeny; Zemva, Boris; Zheng, Shaohui; Autschbach, Jochen","Solid-state NMR spectroscopic study of coordination compounds of XeF(2) with metal cations and the crystal structure of [Ba(XeF(2))(5)][AsF(6)](2).","Inorganic chemistry","2007","46","15","6069","6077","10.1021/ic700557m","","","0.71069","MoKα","","0.0614","0.035","","","0.0828","0.1011","","","","","","0.922","","","","has coordinates","179493","2020-10-21","18:00:00","" "4339053","12.0985","0.0009","13.9437","0.001","13.6072","0.0011","90","","90","","90","","2295.5","0.3","200","","","","","","","","","","","4","F m m m","-F 2 2","69","","","","- Ba F22 Sb2 Xe5 -","- Ba F22 Sb2 Xe5 -","- Ba4 F88 Sb8 Xe20 -","4","0.125","","Gerken, Michael; Hazendonk, Paul; Iuga, Adriana; Nieboer, Jared; Tramsek, Melita; Goreshnik, Evgeny; Zemva, Boris; Zheng, Shaohui; Autschbach, Jochen","Solid-state NMR spectroscopic study of coordination compounds of XeF(2) with metal cations and the crystal structure of [Ba(XeF(2))(5)][AsF(6)](2).","Inorganic chemistry","2007","46","15","6069","6077","10.1021/ic700557m","","","0.71069","MoKα","","0.069","0.0506","","","0.1391","0.1531","","","","","","1.103","","","","has coordinates","273129","2022-02-23","10:11:35","" "4340008","25.6676","0.0007","25.668","","25.668","","90","","90","","90","","16911","0.5","100","2","100","2","","","","","","","","3","F m m m","-F 2 2","69","IRMOF-1-L1","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.25","","Allen, C. A.; Cohen, S. M.","Exploration of chemically cross-linked metal-organic frameworks.","Inorganic chemistry","2014","53","13","7014","7019","10.1021/ic500951b","","","1.54178","CuKα","","0.0714","0.067","","","0.2132","0.2217","","","","","","1.145","","","","has coordinates","179503","2020-10-21","18:00:00","" "4341184","18.1962","0.0017","28.429","0.003","34.905","0.003","90","","90","","90","","18056","3","180","2","180","2","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H40 Co4 K N16 O119 P5 W30 -","- C48 H40 Co4 K N16 O119 P5 W30 -","- C192 H160 Co16 K4 N64 O476 P20 W120 -","4","0.125","","Zhao, Ya-Qin; Yu, Kai; Wang, Li-Wei; Wang, Ying; Wang, Xing-Po; Sun, Di","Anion-Induced Supramolecular Isomerism in Two Preyssler P5W30 Polyoxometalate-Based Hybrid Materials.","Inorganic chemistry","2014","53","20","11046","11050","10.1021/ic501567s","","","0.71073","MoKα","","0.0858","0.065","","","0.1586","0.166","","","","","","1.069","","","","has coordinates","179514","2020-10-21","18:00:00","" "4343782","10.741","","10.734","","10.538","","90","","90","","90","","1214.97","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Pb K2 (Cu (N O2)6)","","- Cu K2 N6 O12 Pb -","- Cu K2 N6 O12 Pb -","- Cu4 K8 N24 O48 Pb4 -","4","0.125","","Joesten, M.D.; Takagi, S.; Lenhert, P.G.","Structure of potassium lead hexanitrocuprate(II) at 276 K. An apparent compressed tetragonal Jahn-Teller distortion","Inorganic Chemistry","1977","16","","2680","2685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344925","21.2731","0.0005","25.7339","0.0006","27.1818","0.0007","90","","90","","90","","14880.4","0.6","100","2","100","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C28 H12 Cu5 I2 N4 O18 -","- C28 H12 Cu5 I2 N4 O18 -","- C224 H96 Cu40 I16 N32 O144 -","8","0.25","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","1.54178","CuKα","","0.1156","0.1099","","","0.2954","0.3031","","","","","","1.072","","","","has coordinates","275238","2022-05-09","00:28:04","" "4346226","12.5413","0.0009","17.265","0.0015","17.6107","0.0012","90","","90","","90","","3813.2","0.5","173","2","173","2","","","","","","","","5","F m m m","-F 2 2","69","","poly[di-μ-oxido-μ~4~-[1,3-bis-(1,2,4-triazol-4-yl)adamantane- κ^4^N1:N2:N1':N2']-tetraoxodimolybdenum(VI)] Monohydrate","","- C14 H20 Mo2 N6 O7 -","- C14 H20 Mo2 N6 O7 -","- C112 H160 Mo16 N48 O56 -","8","0.25","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0267","0.0204","","","0.0477","0.0489","","","","","","0.982","","","","has coordinates","288505","2023-12-22","15:12:02","" "4503575","19.8543","0.0014","25.4617","0.0014","28.331","0.002","90","","90","","90","","14322","1.6","183","2","183","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C76 H116 N24 Ni8 O74 -","- C76 H80 N24 Ni8 O74 -","- C304 H320 N96 Ni32 O296 -","4","0.125","","Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi","Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions","Crystal Growth & Design","2008","8","7","2458","","10.1021/cg8000762","","","0.71073","MoKα","","0.0959","0.0754","","","0.2209","0.2511","","","","","","1.052","","","","has coordinates","264242","2021-04-16","08:52:18","" "4514599","25.0266","0.0005","28.3182","0.0007","30.3737","0.0006","90","","90","","90","","21526.1","0.8","150","1","150","1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 O24 Zn4 -","- C42 H22 O24 Zn4 -","- C336 H176 O192 Zn32 -","8","0.25","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Bučar, Dejan-Krešimir; Kenyon, Anthony J.; Scanlon, David O.; Parkin, Ivan P.","Sensing and Discrimination of Explosives at Variable Concentrations with a Large-Pore MOF as Part of a Luminescent Array.","ACS applied materials & interfaces","2019","11","12","11618","11626","10.1021/acsami.8b22385","","x-ray","1.54184","CuKα","","0.0534","0.0465","","","0.1479","0.1623","","","","","","1.0189","","","","has coordinates","219783","2020-10-21","18:00:00","" "4516468","32.8783","0.0006","46.6442","0.0009","54.0834","0.001","90","","90","","90","","82941","3","100","","100","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C60 N152 O360 U60 -","- C60 N152 O360 U60 -","- C240 N608 O1440 U240 -","4","0.125","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1526","0.0727","","","0.1967","0.2481","","","","","","1.078","","","","has coordinates","231332","2020-10-21","18:00:00","" "4516752","12.4984","0.0007","12.5181","0.0007","12.6012","0.0008","90","","90","","90","","1971.5","0.2","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C8 I24 N8 Pb8 -","8","0.25","","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","","","0.6888","synchrotron","","0.0731","0.0555","","","0.1831","0.1948","","","","","","1.114","","","","has coordinates","239511","2020-10-21","18:00:00","" "5910228","5.51","","5.448","","32.84","","90","","90","","90","","985.807","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Bi4 O12 Ti3 -","- Bi16 O48 Ti12 -","- Bi16 O48 Ti12 -","","","","Wyckoff, R. W. G.","Page 488-489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","488","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "7002421","6.1168","0.0012","8.97","0.0018","17.25","0.003","90","","90","","90","","946.5","0.3","293","2","293","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C40 H24 N16 O16 -","4","0.125","","Yu, Jie-Hui; Zhu, Yan-Chun; Wu, Di; Yu, Yang; Hou, Qin; Xu, Ji-Qing","Preparation and structural characterization of a series of monoacylhydrazidate-bridged coordination polymers","Dalton Transactions","2009","","39","8248","8256","10.1039/b908812a","","","0.71073","MoKα","","0.0541","0.052","","","0.1388","0.1415","","","","","","1.141","","","","has coordinates","179724","2020-10-21","18:00:00","" "7015612","11.4055","0.0004","17.3296","0.0006","7.0938","0.0003","90","","90","","90","","1402.11","0.09","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C8 H4 Au2 N6 Zn -","- C8 H4 Au2 N6 Zn -","- C32 H16 Au8 N24 Zn4 -","4","0.125","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0469","0.0322","","0.0514","0.0389","0.0386","","","","","","0.968","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7036441","13.3025","0.0003","9.63428","0.00015","6.65115","0.00017","90","","90","","90","","852.41","0.03","298","","298","","","","","","","","","3","F m m m","-F 2 2","69","Trisodium plutonate","NA3PuO4","","- Na3 O4 Pu -","- Na3 O4 Pu -","- Na24 O32 Pu8 -","8","0.25","","Smith, A. L.; Raison, P. E.; Hen, A.; Bykov, D.; Colineau, E.; Sanchez, J.-P.; Konings, R. J. M.; Cheetham, A. K.","Structural investigation of Na3NpO4 and Na3PuO4 using X-ray diffraction and (237)Np Mössbauer spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18370","18377","10.1039/c5dt02168e","powder diffraction","","1.5406","CuKα","","","","","","","","","8.0768","1.23919","","","","","","","has coordinates","171287","2020-10-21","18:00:00","" "7036442","13.35297","0.00007","9.62866","0.00004","6.67291","0.00003","90","","90","","90","","857.944","0.007","298","","298","","","","","","","","","3","F m m m","-F 2 2","69","Trisodium neptunate","Na3NpO4","","- Na3 Np O4 -","- Na3 Np O4 -","- Na24 Np8 O32 -","8","0.25","","Smith, A. L.; Raison, P. E.; Hen, A.; Bykov, D.; Colineau, E.; Sanchez, J.-P.; Konings, R. J. M.; Cheetham, A. K.","Structural investigation of Na3NpO4 and Na3PuO4 using X-ray diffraction and (237)Np Mössbauer spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18370","18377","10.1039/c5dt02168e","powder diffraction","","1.5406","CuKα","","","","","","","","","7.7403","2.0811","","","","","","","has coordinates","171287","2020-10-21","18:00:00","" "7038739","10.157","0.0016","25.995","0.004","53.545","0.008","90","","90","","90","","14138","4","173","2","173","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C92 H96 Cl8 Ir4 N4 O8 -","- C88 H88 Ir4 N4 O8 -","- C352 H352 Ir16 N16 O32 -","4","0.125","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.0661","0.0517","","","0.1544","0.1612","","","","","","1.064","","","","has coordinates,has disorder","182728","2020-10-21","18:00:00","" "7042205","19.3158","0.0013","33.16","0.003","35.5","0.002","90","","90","","90","","22738","3","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C66 H66 F48 N19 O0 P8 Pd2 -","- C66 H66 F48 N19 P8 Pd2 -","- C528 H528 F384 N152 P64 Pd16 -","8","0.25","","Marcos, Ismael; Domarco, Olaya; Peinador, Carlos; Fenández, Alberto; Fernández, Jesús J; Vázquez-García, Digna; García, Marcos D","Self-assembly of dinuclear Pd(ii)/Pt(ii) metallacyclic receptors incorporating N-heterocyclic carbene complexes as corners.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4182","4190","10.1039/c6dt04476j","","","0.71073","MoKα","","0.2314","0.1396","","","0.3672","0.3967","","","","","","1.385","","","","has coordinates","195079","2020-10-21","18:00:00","" "7044354","12.293","0.004","17.319","0.006","6.536","0.002","90","","90","","90","","1391.5","0.8","205","","205","","","","","","","","","4","F m m m","-F 2 2","69","","","","- H16 N10 O8 Zn -","- H16 N10 O8 Zn -","- H64 N40 O32 Zn4 -","4","0.125","","Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","A Carbon-free Inorganic-metal Complex Consisting of All-nitrogen Pentazole Anion, Zn(II) Cation and H2O","Dalton Trans.","2017","","","","","10.1039/C7DT03231E","","","0.71073","MoKα","","0.0303","0.0302","","","0.0707","0.0707","","","","","","1.198","","","","has coordinates","201491","2020-10-21","18:00:00","" "7045850","28.34","0.03","34.85","0.03","17.761","0.018","90","","90","","90","","17542","3","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H10 N5 O8 Zn2 -","- C22 H10 N5 O8 Zn2 -","- C352 H160 N80 O128 Zn32 -","16","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Yao-Yu","Functionalization of MOFs via a mixed-ligand strategy: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5298","5303","10.1039/c8dt00502h","","","0.71073","MoKα","","0.1146","0.0899","","","0.1905","0.201","","","","","","1.083","","","","has coordinates","229847","2020-10-21","18:00:00","" "7045851","28.127","0.009","34.868","0.011","17.705","0.005","90","","90","","90","","17364","9","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H11 N6 O8 Zn2 -","- C22 H11 N6 O8 Zn2 -","- C352 H176 N96 O128 Zn32 -","16","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Yao-Yu","Functionalization of MOFs via a mixed-ligand strategy: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5298","5303","10.1039/c8dt00502h","","","0.71073","MoKα","","0.0938","0.0764","","","0.1942","0.2071","","","","","","1.097","","","","has coordinates","229847","2020-10-21","18:00:00","" "7059276","15.5165","0.0004","17.509","0.0009","7.3318","0.0005","90","","90","","90","","1991.89","0.18","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","Cd4(SeO3)2Cl4(H2O)","'Cd4(SeO3)2Cl4(H2O)'","","- Cd4 Cl4 H2 O7 Se2 -","- Cd4 Cl4 H2 O7 Se2 -","- Cd32 Cl32 H16 O56 Se16 -","8","0.25","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0428","0.0427","","","0.122","0.1221","","","","","","1.075","","","","has coordinates","257651","2020-10-21","18:00:00","" "7061954","7.459","0.004","7.598","0.003","31.724","0.013","90","","90","","90","","1797.9","1.4","430","2","430","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C10 H16 Cd Cl4 N2 S2 -","- C10 H15.5 Cd Cl4 N2 S2 -","- C40 H62 Cd4 Cl16 N8 S8 -","4","0.125","","Han, Li-Jun; Liu, Jia; Shao, Ting; Jia, Qiang-Qiang; Su, Chang-Yuan; Fu, Da-Wei; Lu, Hai-Feng","A Cd-based perovskite with optical-electrical multifunctional response","New Journal of Chemistry","2022","46","37","17928","17933","10.1039/D2NJ03330E","","","0.71073","MoKα","","0.1397","0.138","","","0.3462","0.3469","","","","","","1.025","","","","has coordinates,has disorder","278378","2022-10-06","06:37:34","" "7112280","24.9933","0.0013","28.2078","0.0012","38.8733","0.0018","90","","90","","90","","27406","2","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C13 H7 Cu N3 O5 -","- C13 H7 Cu N3 O5 -","- C416 H224 Cu32 N96 O160 -","32","1","","Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli","""Click""-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.","Chemical communications (Cambridge, England)","2014","50","36","4683","4685","10.1039/c3cc49457h","","","1.54178","CuKα","","0.0793","0.0552","","","0.1552","0.1659","","","","","","0.862","","","","has coordinates","180236","2020-10-21","18:00:00","" "7123559","22.1076","0.0008","23.5213","0.0008","35.8807","0.0014","90","","90","","90","","18657.9","1.2","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C50 H106 Ba13 Cl34 N10 O78 Sb36 -","- C30 H36 Ba13 Cl34 N6 O54 Sb36 -","- C120 H144 Ba52 Cl136 N24 O216 Sb144 -","4","0.125","","Wu, Zhao-Feng; Hu, Bing; Fu, Zhi-hua; Wang, Hao; Xu, Gang; Gong, Liaokuo; Zou, Guo-Dong; Huang, Xiao-ying; Li, Jing","[Ba13Sb36Cl34O54]8-: High-nuclearity cluster for the assembly of nanocluster-based compounds","Chemical Communications","2019","","","","","10.1039/C9CC02145K","","","1.54178","CuKα","","0.0789","0.0722","","","0.1687","0.1732","","","","","","1.077","","","","has coordinates","215591","2020-10-21","18:00:00","" "7126984","20.717","0.002","31.9589","0.0011","34.5056","0.0008","90","","90","","90","","22846","2","150.04","0.1","150.04","0.1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C42 H40 N2 O16 Zr3 -","- C42 H40 N2 O16 Zr3 -","- C336 H320 N16 O128 Zr24 -","8","0.25","","Zhang, Xiurong; Fan, Weidong; Fu, Mingyue; Jiang, Weifeng; Lu, Kebin; Wang, Yutong; Sun, Daofeng","Optimizing zirconium metal-organic frameworks through steric tuning for efficient removal of Cr2O72.","Chemical communications (Cambridge, England)","2020","56","72","10513","10516","10.1039/d0cc04007j","","x-ray","1.54184","CuKα","","0.1198","0.0671","","","0.1597","0.1918","","","","","","0.911","","","","has coordinates,has disorder","257270","2020-10-21","18:00:00","" "7128651","16.5124","0.0004","20.7448","0.0006","14.1639","0.0005","90","","90","","90","","4851.8","0.3","120","2","120","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C9 N O17 Th3 -","- C9 N O17 Th3 -","- C72 N8 O136 Th24 -","8","0.25","","Zheng, Zhaofa; Lu, Huangjie; Guo, Xiaofeng; Zhou, Zhengyang; Wang, Yumin; Li, Zi-Jian; Xiao, Guo-Ping; Qian, Yuan; Lin, Jian; Wang, Jian-Qiang","Emergence of a thorium-organic framework as a radiation attenuator for selective X-ray dosimetry.","Chemical communications (Cambridge, England)","2021","57","66","8131","8134","10.1039/d1cc02649f","","","0.71073","MoKα","","0.0308","0.0269","","","0.0638","0.0654","","","","","","1.067","","","","has coordinates,has disorder","268550","2021-09-06","09:14:00","" "7128652","16.5096","0.0003","20.7464","0.0004","14.1607","0.0003","90","","90","","90","","4850.25","0.16","120","2","120","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C9 N O17 Th3 -","- C9 N O17 Th3 -","- C72 N8 O136 Th24 -","8","0.25","","Zheng, Zhaofa; Lu, Huangjie; Guo, Xiaofeng; Zhou, Zhengyang; Wang, Yumin; Li, Zi-Jian; Xiao, Guo-Ping; Qian, Yuan; Lin, Jian; Wang, Jian-Qiang","Emergence of a thorium-organic framework as a radiation attenuator for selective X-ray dosimetry.","Chemical communications (Cambridge, England)","2021","57","66","8131","8134","10.1039/d1cc02649f","","","0.71073","MoKα","","0.03","0.028","","","0.0803","0.0817","","","","","","1.17","","","","has coordinates,has disorder","268550","2021-09-06","09:14:00","" "7211069","8.306","0.0017","9.0369","0.0018","14.377","0.003","90","","90","","90","","1079.1","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au Eu2 Si3 -","- Au0.996 Eu2 Si3.004 -","- Au7.968 Eu16 Si24.032 -","8","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0346","0.032","","","0.0709","0.074","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00","" "7214546","28.0614","0.0011","30.0942","0.0019","30.0947","0.0012","90","","90","","90","","25415","2","250","2","250","2","","","","","","","","5","F m m m","-F 2 2","69","BMOF-1-bpdc-[NO2]2","","","- C48 H0 N8 O17 Zn2 -","- C48 N8 O17.002 Zn2 -","- C768 N128 O272.032 Zn32 -","16","0.5","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.1671","0.1579","","","0.5586","0.5968","","","","","","1.097","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00","" "7221012","5.5939","","5.6013","","18.011","","90","","90","","90","","564.341","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Li2 Sr (Nb2 O7)","","- Li2 Nb2 O7 Sr -","- Li2 Nb2 O7 Sr -","- Li8 Nb8 O28 Sr4 -","4","0.125","","Bhuvanesh, N.S.P.; Duroy, H.; Crosnier-Lopez, M.P.; Fourquet, J.L.","Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)","Journal of Materials Chemistry","1999","9","","3093","3100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222201","5.393","","5.456","","29.08","","90","","90","","90","","855.656","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","La Sr3 Ga Co2 O9","","- Co2 Ga La O9 Sr3 -","- Co2.001 Ga0.999 La O9 Sr3 -","- Co8.004 Ga3.996 La4 O36 Sr12 -","4","0.125","","Prado, F.; Manthiram, A.; Gurunathan, K.","Synthesis, crystal chemistry and electrical, oxygen permeation and magnetic properties of La Sr3 Ga Fe2-x Cox O10-d (0 <= x <= 2 and 0 <= d <= 2)","Journal of Materials Chemistry","2002","12","","2390","2395","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7231971","17.386","0.004","23.565","0.006","45.325","0.011","90","","90","","90","","18570","8","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C192 H104 Co4 Mo96 N16 O356 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0677","0.0495","","","0.1228","0.1398","","","","","","1.12","","","","has coordinates","223583","2020-10-21","18:00:00","" "7231978","17.352","0.005","23.578","0.007","45.26","0.013","90","","90","","90","","18517","9","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C192 H96 Mo96 N16 Ni4 O352 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.1517","0.1238","","","0.2686","0.2888","","","","","","1.147","","","","has coordinates","223583","2020-10-21","18:00:00","" "7242415","14.353","0.0013","30.106","0.003","26.328","0.002","90","","90","","90","","11376.6","1.8","298","2","298.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H18 Cl3 Cu3 N10 -","- C22 H18 Cl3 Cu3 N10 -","- C352 H288 Cl48 Cu48 N160 -","16","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A novel copper(i) metal‒organic framework as a highly efficient and ultrasensitive electrochemical platform for detection of Hg(ii) ions in aqueous solution","CrystEngComm","2021","23","16","3043","3051","10.1039/D1CE00197C","","","0.71073","MoKα","","0.1469","0.0809","","","0.2076","0.2339","","","","","","0.828","","","","has coordinates,has disorder","265959","2021-06-05","18:11:26","" "7700045","13.115","0.008","13.371","0.007","14.838","0.01","90","","90","","90","","2602","3","150","2","150","2","","","","","","","","5","F m m m","-F 2 2","69","","Lithium 12-crown-4 neptunyl tetrachloride","","- C16 Cl4 Li2 Np O10 -","- C16 Cl4 Li2 Np O10 -","- C64 Cl16 Li8 Np4 O40 -","4","0.125","","Bjorklund, Jennifer L.; Pyrch, Mikaela M.; Basile, Madeline C.; Mason, Sara E.; Forbes, Tori Z.","Actinyl-cation interactions: experimental and theoretical assessment of [Np(vi)O2Cl4]2- and [U(vi)O2Cl4]2- systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8861","8871","10.1039/c9dt01753d","","","0.71073","MoKα","","0.0419","0.0419","","","0.1088","0.1088","","","","","","1.065","","","","has coordinates,has disorder","223793","2020-10-21","18:00:00","" "7715594","7.5639","0.0002","8.2984","0.0002","21.7768","0.0007","90","","90","","90","","1366.89","0.07","370","0.1","370.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.125","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0219","0.0219","","","0.0466","0.0466","","","","","","1.085","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29","" "7715595","7.6009","0.0007","8.3017","0.0006","21.798","0.002","90","","90","","90","","1375.5","0.2","390.01","0.1","390.15","","","","","","","","","5","F m m m","-F 2 2","69","","(TzH)2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.125","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0252","0.0251","","","0.0524","0.0525","","","","","","1.038","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29","" "9000046","2.456","","4.254","","6.696","","90","","90","","90","","69.959","","","","","","","","","","","","","1","F m m m","-F 2 2","69","Graphite","","Graphite","- C -","- C -","- C8 -","8","0.25","","Kukesh, J. S.; Pauling, L.","The problem of the graphite structure","American Mineralogist","1950","35","","125","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9004016","13.5947","","18.1823","","17.8335","","90","","90","","90","","4408.14","","","","302","","","","","","","","Seremida, Sardinia, Italy","7","F m m m","-F 2 2","69","","","Stellerite","- Al1.98 Ca0.78 H36 K0.01 Na0.1 O25.24 Si7.92 -","- Al1.98 Ca0.78 H14.48 K0.01 Na0.1 O25.24 Si7.92 -","- Al15.84 Ca6.24 H115.84 K0.08 Na0.8 O201.92 Si63.36 -","8","0.25","","Arletti, R.; Mazzucato, E.; Vezzalini, G.","Influence of dehydration kinetics on T-O-T bridge breaking in zeolites with framework type STI: The case of stellerite Sample: T = 302 K Note: occupancies invented to match formula","American Mineralogist","2006","91","","628","634","10.2138/am.2006.1966","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9005145","13.616","","18.238","","17.835","","90","","90","","90","","4428.94","","","","","","","","","","","","","7","F m m m","-F 2 2","69","","","Stilbite-Ca","- Al2.34 Ca0.945 H22.98 Mg0.107 Na0.188 O25.28 Si6.66 -","- Al2.34 Ca0.945 H14.56 Mg0.107 Na0.188 O25.28 Si6.66 -","- Al18.72 Ca7.56 H116.48 Mg0.856 Na1.504 O202.24 Si53.28 -","8","0.25","","Akizuki, M.; Kudoh, Y.; Satoh, Y.","Crystal structure of the orthorhombic {001} growth sector of stilbite","European Journal of Mineralogy","1993","5","","839","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9005461","13.601","","18.232","","17.81","","90","","90","","90","","4416.41","","","","","","","","","","","","","10","F m m m","-F 2 2","69","","","Barrerite","- Al1.876 Ba0.002 Ca0.162 H34 K0.03 Mg0.047 N1.315 Na0.106 O22.52 Si7.123 -","- Al1.8765 Ba0.0025 Ca0.1625 H9.04 K0.03 Mg0.0475 N1.315 Na0.10625 O22.52 Si7.1235 -","- Al15.012 Ba0.02 Ca1.3 H72.32 K0.24 Mg0.38 N10.52 Na0.85 O180.16 Si56.988 -","8","0.25","","Meneghinello, E.; Alberti, A.; Cruciani, G.; Sacerdoti, M.; McIntyre, G.; Ciambelli, P.; Rapascciuolo, M. T.","Single crystal neutron diffraction study of the natural zeolite barrerite in its ND4-exchanged form","European Journal of Mineralogy","2000","12","","1123","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13","" "9009716","13.61","","18.214","","17.833","","90","","90","","90","","4420.67","","","","","","","","","","","","Capo Pula, Sardegna, Italy","5","F m m m","-F 2 2","69","","","Stellerite","- Al2.124 Ca0.92 H38 O27.05 Si6.876 -","- Al2.124 Ca0.92 H18.1 O27.05 Si6.876 -","- Al16.992 Ca7.36 H144.8 O216.4 Si55.008 -","8","0.25","","Sacerdoti, M.; Gomedi, I.","Crystal structural refinement of Ca-exchanged barrerite Note: made from natural barrierite in the lab","Bulletin de Mineralogie","1984","107","","799","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9014427","5.5546","","5.4983","","12.059","","90","","90","","90","","368.292","","","","","","","","","","","","Synthetic","3","F m m m","-F 2 2","69","","","","- As2 Eu Fe2 -","- As8 Eu4 Fe8 -","- As8 Eu4 Fe8 -","","","","Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D.","Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 10 K","Journal of Physics: Condensed Matter","2008","20","","452201_1","452201_5","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016523","5.5783","","5.5175","","12.2965","","90","","90","","90","","378.465","","","","","","","","","","","","Synthetic","3","F m m m","-F 2 2","69","","","","- As2 Fe2 Sr -","- As8 Fe8 Sr4 -","- As8 Fe8 Sr4 -","","","","Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D.","Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 90 K","Journal of Physics: Condensed Matter","2008","20","","452201_1","452201_5","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""