# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T14:26:12+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n -3 :2' 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
"1001744","7.629","0.002","7.629","0.002","7.629","0.002","90","","90","","90","","444","","","","","","","","","","","","synthetic from solution","4","P n -3 :2","-P 2ab 2bc 3","201","","Iron(III) tin(IV) oxide pentahydroxide","Jeanbandyite oxidized","- Fe H5 O6 Sn -","- Fe H0.83 O6 Sn -","- Fe4 H3.32 O24 Sn4 -","4","0.166667","","Morgenstern-Badarau, I; Michel, A","Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV)","Journal of Inorganic and Nuclear Chemistry","1976","38","","1400","1402","10.1016/0022-1902(76)80168-6","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004040","9.302","","9.302","","9.302","","90","","90","","90","","804.9","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Bismuth ruthenium oxide (3/3/11)","","- Bi3 O11 Ru3 -","- Bi3 O11 Ru3 -","- Bi12 O44 Ru12 -","4","0.166667","","Abraham, F; Thomas, D","Structure cristalline de Bi~3~ Ru~3~ O~11~","Bulletin de la Societe Chimique de France (Vol=Year)","1975","1975","","25","29","","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004063","9.466","0.002","9.466","0.002","9.466","0.002","90","","90","","90","","848.2","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","LANTHANUM RUTHENIUM OXIDE (3/3/11)","","- La3 O11 Ru3 -","- La3 O11 Ru3 -","- La12 O44 Ru12 -","4","0.166667","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: II-Preparation et etude structurelle de la phase La~3~ Ru~3~ O~11~","Materials Research Bulletin","1978","13","","805","810","10.1016/0025-5408(78)90043-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004066","9.499","0.004","9.499","0.004","9.499","0.004","90","","90","","90","","857.1","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","LANTHANUM IRIDIUM OXIDE (3/3/11)","","- Ir3 La3 O11 -","- Ir3 La3 O11 -","- Ir12 La12 O44 -","4","0.166667","","Abraham, F; Trehoux, J; Thomas, D","Preparation et etude structurale d'un nouveau compose contenant le cluster M~12~ O~36~ * La~3~ Ir~3~ O~11~","Journal of the Less-Common Metals","1979","63","","P57","P63","10.1016/0022-5088(79)90255-8","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008051","9.4907","0.0002","9.4907","0.0002","9.4907","0.0002","90","","90","","90","","854.9","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Tribismuth gallium oxide diantimonate","","- Bi3 Ga O11 Sb2 -","- Bi3 Ga0.9999 O11 Sb2.0001 -","- Bi12 Ga3.9996 O44 Sb8.0004 -","4","0.166667","","Sleight, A W; Bouchard, R J","A new cubic K Sb O~3~ derivative structure with interpenetrating networks. Crystal structure of Bi~3~ Ga Sb~2~ O~11~","Inorganic Chemistry","1973","12","","2314","2316","10.1021/ic50128a019","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503643","25.657","0.002","25.657","0.002","25.657","0.002","90","","90","","90","","16890","2","298","2","298","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H28.42 Br2 N5 O4.71 -","- C24 H28.4133 Br2 N5 O4.70833 -","- C576 H681.92 Br48 N120 O113 -","24","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.2899","0.0709","","","0.1255","0.1538","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509156","13.355","","13.355","","13.355","","90","","90","","90","","2381.95","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Ag (W6 Br14)","","- Ag Br14 W6 -","- Ag Br14 W6 -","- Ag4 Br56 W24 -","4","0.166667","","Peters, K.; von Schnering, H.G.; Grin', Yu.; Borrmann, H.; Zheng Yueqing","The cluster compounds Ag (W6 Br14) and Ag2 (W6 Br14)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","2115","2115","10.1002/(SICI)1521-3749(199912)625:12<2115::AID-ZAAC2115>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1525447","9.515","","9.515","","9.515","","90","","90","","90","","861.443","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","K2 Na Sb3 O9","","- K2 Na O9 Sb3 -","- K2 Na O9 Sb3 -","- K8 Na4 O36 Sb12 -","4","0.166667","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Classement des porteurs de charge et conductivite du compose K8 Na4 Sb12 O36 de structure K Sb O3 cubique","Materials Research Bulletin","1981","16","","877","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527728","8.252","","8.252","","8.252","","90","","90","","90","","561.924","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Ca Pb (O H)6","","- Ca H6 O6 Pb -","- Ca H6 O6 Pb -","- Ca4 H24 O24 Pb4 -","4","0.166667","","Levy-Clement, C.; Billiet, Y.","Etude structurale de Ca Pb (O H)6 et Cd Pb (O H)6","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1976","99","","361","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527729","8.15","","8.15","","8.15","","90","","90","","90","","541.343","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Cd Pb (O H)6","","- Cd H6 O6 Pb -","- Cd O6 Pb -","- Cd4 O24 Pb4 -","4","0.166667","","Levy-Clement, C.; Billiet, Y.","Etude structurale de Ca Pb (O H)6 et Cd Pb (O H)6","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1976","99","","361","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527884","7.885","","7.885","","7.885","","90","","90","","90","","490.236","","","","","","","","","","","","Synthetic","4","P n -3 :2","-P 2ab 2bc 3","201","","Mn (Sn (O H)6)","Wickmanite","- H6 Mn O6 Sn -","- Mn O6 Sn -","- Mn4 O24 Sn4 -","4","0.166667","","Norlund Christensen, A.; Hazell, R.G.","Hydrothermal preparation of hydroxy stannates. The crystal structure of Mn Sn (O H)6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1969","23","","1219","1224","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:53",""
"1529830","15.984","","15.984","","15.984","","90","","90","","90","","4083.72","","","","","","","","","","","","Synthetic","7","P n -3 :2","-P 2ab 2bc 3","201","","Ca5.92 Ti3 Fe2.97 Mn1.7 As11.18 H4 O40.68","Cafarsite","- As11.18 Ca5.92 Fe2.97 H4 Mn1.7 O40.68 Ti3 -","- As11.18 Ca5.92 Fe2.97 Mn1.7 O40.68 Ti3 -","- As44.72 Ca23.68 Fe11.88 Mn6.8 O162.72 Ti12 -","4","0.166667","","Edenharter, A.; Nowacki, W.; Weibel, M.","Zur Struktur und Zusammensetzung von Cafarsit. Cafarsit, ein As(III) - Oxid, kein Arsenat","Schweizerische Mineralogische und Petrographische Mitteilungen","1977","57","","1","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:01",""
"1530977","9.681","","9.681","","9.681","","90","","90","","90","","907.32","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","(K0.1 Li0.9) (Sb O3)","","- K0.1 Li0.9 O3 Sb -","- K0.1 Li0.9 O3 Sb -","- K1.2 Li10.8 O36 Sb12 -","12","0.5","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Structure et proprietes de conduction du compose K0.1 Li0.9 Sb O3","Solid State Ionics","1981","2","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537051","13.808","","13.808","","13.808","","90","","90","","90","","2632.65","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","K2 (Br8 (W Br)6)","","- Br14 K2 W6 -","- Br14 K2.005 W6 -","- Br56 K8.02 W24 -","4","0.166667","","Zheng, Y.-Q.; Peters, K.; Grin', Yu.; von Schnering, H.G.","Syntheses and crystal structures of the cluster compounds A2 ((W6 Br8) Br6) with A= K, Rb, Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","","506","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","165025","2020-10-21","18:00:00",""
"1541729","8.15","","8.15","","8.15","","90","","90","","90","","541.343","","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","Ca Sn (O D)5.45 (O H).55","","- Ca D5.45 H0.55 O6 Sn -","- Ca D5.4504 H0.5496 O6 Sn -","- Ca4 D21.8016 H2.1984 O24 Sn4 -","4","0.166667","","Cohen-Addad, C.","Etude structurale des hydroxystannates Ca Sn (O H)6 et Zn Sn (O H)6 par diffraction neutronique, absorption infrarouge et resonance magnetique nucleaire","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","315","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1555259","11.4074","0.0005","11.4074","0.0005","11.4074","0.0005","90","","90","","90","","1484.43","0.11","200","","200","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- C14 H20 O16.75 -","- C14 H19.9992 O16.7492 -","- C28 H39.9984 O33.4984 -","2","0.0833333","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0928","0.0859","","","0.2151","0.2255","","","","","","1.196","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1560109","12.12528","0.00002","12.12528","0.00002","12.12528","0.00002","90","","90","","90","","1782.69","0.005","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","triguanidinium hexanickel(II) pentahexathiocyanatobismuthate","","- C0.92 Bi0.15 N1.25 Ni0.17 S0.86 -","- C0.924333 Bi0.15 N1.25 Ni0.166667 S0.86 -","- C22.184 Bi3.6 N30 Ni4 S20.64 -","24","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.6889","","","0.0419","0.0263","","","0.084","0.0866","","","","","","1.043","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1562012","9.54721","0.00002","9.54721","0.00002","9.54721","0.00002","90","","90","","90","","870.221","0.003","293","","293","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi12 Ni2.666 O44 Sb9.334 -","- Bi11.9992 Ni2.6664 O44 Sb9.3336 -","- Bi11.9992 Ni2.6664 O44 Sb9.3336 -","1","0.0416667","","Egorysheva, A. V.; Ellert, O. G.; Zubavichus, Y. V.; Gajtko, O. M.; Efimov, N. N.; Svetogorov, R. D.; Murzin, V. Yu.","New complex bismuth oxides in the Bi2O3–NiO–Sb2O5 system and their properties","Journal of Solid State Chemistry","2015","225","","97","104","10.1016/j.jssc.2014.12.001","powder diffraction","x-ray","0.68886","","","0.0315","0.0249","","0.0266","0.0236","","","","0.05","","","","","","","has coordinates","275234","2022-05-08","23:43:24",""
"1562034","9.51521","0.00002","9.51521","0.00002","9.51521","0.00002","90","","90","","90","","861.5","0.003","293","","293","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Fe O11 Sb2 -","- Bi2.9998 Fe0.9999 O11 Sb2.0001 -","- Bi11.9992 Fe3.9996 O44 Sb8.0004 -","4","0.166667","","Egorysheva, A.V.; Ellert, O.G.; Gajtko, O.M.; Efimov, N.N.; Svetogorov, R.D.; Zubavichus, Y.V.; Grigorieva, A.V.","The Bi2O3‒Fe2O3‒Sb2O5 system phase diagram refinement, Bi3FeSb2O11 structure peculiarities and magnetic properties","Journal of Solid State Chemistry","2015","225","","278","284","10.1016/j.jssc.2014.12.032","powder diffraction","x-ray","0.68886","","","0.031","0.0269","","0.0349","0.0321","","","","0.13","","","","","","","has coordinates","264464","2021-04-23","09:11:27",""
"1570666","2.776","","2.776","","2.776","","90","","90","","90","","21.392","","","","","","","","","","","","","2","P n -3 :2","-P 2ab 2bc 3","201","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.166667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"4001636","7.448","0.0005","7.448","","7.448","","90","","90","","90","","413.16","0.03","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2 O12 Sb2 -","- Ca Cu3 Ga2 O12 Sb2 -","- Ca2 Cu6 Ga4 O24 Sb4 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001637","7.46558","0.00016","7.46558","","7.46558","","90","","90","","90","","416.093","0.009","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca2 Cu6 Ga4.04 O24 Ta4.04 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001856","18.8164","0.0001","18.8164","0.0001","18.8164","0.0001","90","","90","","90","","6662.08","0.06","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 H6 O63 V12 Zn3 -","- B18 H6 O63 V12 Zn3 -","- B72 H24 O252 V48 Zn12 -","4","0.166667","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.5418","CuKα","","0.0451","0.0411","","","0.136","0.1404","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001860","18.9393","0.0002","18.9393","0.0002","18.9393","0.0002","90","","90","","90","","6793.47","0.12","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B36 Ni6 O132 V24 -","- B36 Ni6 O132 V24 -","- B72 Ni12 O264 V48 -","2","0.0833333","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.1027","0.0675","","","0.1732","0.1918","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001861","18.9341","0.0003","18.9341","0.0003","18.9341","0.0003","90","","90","","90","","6787.88","0.19","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B24 Mn4 O88 V16 -","- B24 Mn4 O88 V16 -","- B72 Mn12 O264 V48 -","3","0.125","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0903","0.0684","","","0.1854","0.2008","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4030863","13.3866","0.0006","13.3866","0.0006","13.3866","0.0006","90","","90","","90","","2398.89","0.19","","","295","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Br14 Cu2 W6 -","- Br14 Cu2 W6 -","- Br56 Cu8 W24 -","4","0.166667","","Ihmaine, S.; Perrin, C.; Sergent, M.","New halides in the tungsten octahedral cluster chemistry, Cu2W6X14 (X = Cl, Br): crystal structure of Cu2W6Br14","European Journal of Solid State and Inorganic Chemistry","1997","34","","169","178","","","x-ray","0.71073","MoKα","","","0.035","","","0.037","","","","","","","0.986","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4103008","9.11919","0.00008","9.11919","0.00008","9.11919","0.00008","90","","90","","90","","758.348","0.012","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Mn3 O10.5 -","- Bi2.9998 Mn3 O10.5 -","- Bi11.9992 Mn12 O42 -","4","0.166667","","Alexei A. Belik; Eiji Takayama-Muromachi","Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism","Journal of the American Chemical Society","2010","132","","12426","12432","10.1021/ja1043598","powder diffraction","","0.41916","CuK\α~1~","","","","","","","","","","3.03","","","","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103009","9.11151","0.00006","9.11151","0.00006","9.11151","0.00006","90","","90","","90","","756.434","0.009","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Mn3 O11.6 -","- Bi2.9998 Mn3 O11 -","- Bi11.9992 Mn12 O44 -","4","0.166667","","Alexei A. Belik; Eiji Takayama-Muromachi","Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism","Journal of the American Chemical Society","2010","132","","12426","12432","10.1021/ja1043598","powder diffraction","","0.41916","CuK\α~1~","","","","","","","","","","2.42","","","","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4119595","7.2916","0.0001","7.2916","0.0001","7.2916","0.0001","90","","90","","90","","387.676","0.009","","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0833333","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.0138","","","","","","0.01363","0.00815","0.836","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4120079","20.3289","0.0013","20.3289","0.0013","20.3289","0.0013","90","","90","","90","","8401.2","0.9","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C187 H151 Cl21 N12 O12 -","- C187.08 H162.24 Cl19.8 N12 O12 -","- C374.16 H324.48 Cl39.6 N24 O24 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.1182","0.0933","","","0.2989","0.3347","","","","","","1.402","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4121462","17.8736","0.0005","17.8736","","17.8736","","90","","90","","90","","5710","0.16","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C4 H2.04 D1.01 O5.78 Zr -","- C4 H2.03667 D1.013 O5.77633 Zr -","- C96 H48.88 D24.312 O138.632 Zr24 -","24","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","powder diffraction","neutron","2.078","","","","","","","","","0.05931","","1.01","","","","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4131135","33.6473","0.0015","33.6473","0.0015","33.6473","0.0015","90","","90","","90","","38093","3","100","2","100","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C214.51 H260.49 Cl15.22 Hg7.61 N5.98 O47 S36 Zr6 -","- C214.52 H260.499 Cl15.216 Hg7.608 N5.9862 O47 S36 Zr6 -","- C858.082 H1042 Cl60.864 Hg30.432 N23.9448 O188 S144 Zr24 -","4","0.166667","","Hou, Yun-Long; Yee, Ka-Kit; Wong, Yan-Lung; Zha, Meiqin; He, Jun; Zeller, Matthias; Hunter, Allen D.; Yang, Kaiqi; Xu, Zhengtao","Metalation Triggers Single Crystalline Order in a Porous Solid.","Journal of the American Chemical Society","2016","138","45","14852","14855","10.1021/jacs.6b09763","","","0.71073","MoKα","","0.2185","0.128","","","0.3212","0.3957","","","","","","1.053","","","","has coordinates,has disorder","241423","2020-10-21","18:00:00",""
"4132937","37.6891","0.0015","37.6891","0.0015","37.6891","0.0015","90","","90","","90","","53536","4","180","2","180","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C600 H396 Cd12 F72 N84 O120 Rh12 S24 -","- C576 H396 Cd12 N84 O48 Rh12 -","- C1152 H792 Cd24 N168 O96 Rh24 -","2","0.0833333","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","1.54178","CuKα","","0.158","0.1231","","","0.3272","0.3559","","","","","","1.083","","","","has coordinates","242799","2020-10-21","18:00:00",""
"4302928","19.0172","0.0006","19.0172","0.0006","19.0172","0.0006","90","","90","","90","","6877.6","0.4","100","2","100","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","[Li(m3-TEG)]6 (1)","","","- C54 H120 Li6 N18 -","- C54 H120 Li6 N18 -","- C216 H480 Li24 N72 -","4","0.166667","","Scott D. Bunge; Jeffrey A. Bertke; Travis L. Cleland","Synthesis, Structure, and Reactivity of Low-Coordinate 1,1,3,3-Tetraethylguanidinate Complexes","Inorganic Chemistry","2009","48","","8037","8043","10.1021/ic9007153","","","0.71073","MoKα","","0.0603","0.0431","","","0.1103","0.1268","","","","","","1.022","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4320523","14.279","0.002","14.279","0.002","14.279","0.002","90","","90","","90","","2911.3","0.7","173","2","173","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H48 I2 Mg O6 -","- C24 H48 I2 Mg O6 -","- C96 H192 I8 Mg4 O24 -","4","0.166667","","Rudolf J. Wehmschulte; Brendan Twamley; Masood A. Khan","Synthesis and Characterization of an Unsolvated Dimeric Diarylmagnesium Compound and Its Magnesium Iodide Byproducts","Inorganic Chemistry","2001","40","","6004","6008","10.1021/ic010513m","","","0.71073","MoKα","","0.1846","0.1244","","","0.295","0.3322","","","","","","1.106","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320800","12.9553","0.0003","12.9553","0.0003","12.9553","0.0003","90","","90","","90","","2174.41","0.09","160","2","293","2","","","","","","","synthetic","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl6.5 K Os2.5 Re3.5 Se7.5 -","- Cl6.48 K Os2.52 Re3.48 Se7.52 -","- Cl25.92 K4 Os10.08 Re13.92 Se30.08 -","4","0.166667","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0477","0.0224","","0.0332","0.0309","","","","0.883","0.993","0.993","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336916","7.29665","0.00005","7.29665","0.00005","7.29665","0.00005","90","","90","","90","","388.482","0.005","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Dy Fe4 O12 -","- Cu3 Dy Fe4 O12 -","- Cu6 Dy2 Fe8 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00624","","","","","","0.00624","0.00957","0.9518","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336917","7.2961","0.00006","7.2961","0.00006","7.2961","0.00006","90","","90","","90","","388.394","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 Ho O12 -","- Cu3 Fe4 Ho O12 -","- Cu6 Fe8 Ho2 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.00661","","","","","","0.0066","0.01146","0.8853","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336918","7.29271","0.00006","7.29271","0.00006","7.29271","0.00006","90","","90","","90","","387.853","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Er Fe4 O12 -","- Cu3 Er Fe4 O12 -","- Cu6 Er2 Fe8 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.00856","","","","","","0.00706","0.01436","0.9914","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336919","7.29208","0.00007","7.29208","0.00007","7.29208","0.00007","90","","90","","90","","387.752","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Tm -","- Cu3 Fe4 O12 Tm -","- Cu6 Fe8 O24 Tm2 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00646","","","","","","0.00639","0.01264","1.1081","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336920","7.28933","0.00006","7.28933","0.00006","7.28933","0.00006","90","","90","","90","","387.314","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Yb -","- Cu3 Fe4 O12 Yb -","- Cu6 Fe8 O24 Yb2 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00512","","","","","","0.00555","0.00814","1.0326","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336921","7.28577","0.00006","7.28577","0.00006","7.28577","0.00006","90","","90","","90","","386.746","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 Lu O12 -","- Cu3 Fe4 Lu O12 -","- Cu6 Fe8 Lu2 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00495","","","","","","0.00495","0.01047","0.9012","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4342704","7.92133","0.00006","7.92133","0.00006","7.92133","0.00006","90","","90","","90","","497.043","0.007","298","","298","","","","","","","","synthetic","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- F3 H6 Na Ni O3 -","- F3 H6 Na Ni O3 -","- F12 H24 Na4 Ni4 O12 -","4","0.166667","","Gonzalo, Elena C.; Sanjuán, María Luisa; Hoelzel, Markus; Azcondo, M. Teresa; Amador, Ulises; Sobrados, Isabel; Sanz, Jesús; García-Alvarado, Flaviano; Kuhn, Alois","Synthesis and Characterization of NaNiF3·3H2O: An Unusual Ordered Variant of the ReO3 Type.","Inorganic chemistry","2015","54","7","3172","3182","10.1021/ic5026262","powder diffraction","neutron","1.54833","neutron","","0.0064","","","0.0079","","","","0.024","1.79","","","","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4344870","7.26256","0.00007","7.26256","0.00007","7.26256","0.00007","90","","90","","90","","383.062","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu2.79 Fe4.21 O12 -","- Ca Cu2.79 Fe4.21 O12 -","- Ca2 Cu5.58 Fe8.42 O24 -","2","0.0833333","","Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo","Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.","Inorganic chemistry","2016","55","4","1715","1719","10.1021/acs.inorgchem.5b02623","powder diffraction","","0.41981","","","0.01214","","","","","","0.01214","0.01661","0.9513","","","","","","","has coordinates","177191","2020-10-21","18:00:00",""
"4347865","13.58159","0.00005","13.58159","0.00005","13.58159","0.00005","90","","90","","90","","2505.25","0.016","300","","300","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","Ytterbium(III)guanidinate","","","- C3 H12 N9 Yb -","- C3 H12 N9 Yb -","- C24 H96 N72 Yb8 -","8","0.333333","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","","2.665","TOFNeutronDiffraction","","","","","","","","","6.1821","1.64","","","","","","","has coordinates","232547","2020-10-21","18:00:00",""
"4347868","13.5307","0.0003","13.5307","0.0003","13.5307","0.0003","90","","90","","90","","2477.2","0.1","10","","10","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","Ytterbium(III)guanidinate","","","- C3 H12 N9 Yb -","- C3 H12 N9 Yb -","- C24 H96 N72 Yb8 -","8","0.333333","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","","2.665","TOFNeutronDiffraction","","","","","","","","","3.9879","2.55","","","","","","","has coordinates","232550","2020-10-21","18:00:00",""
"4501519","13.9033","0.0011","13.9033","0.0011","13.9033","0.0011","90","","90","","90","","2687.5","0.4","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H14 Na2 O13 Sn2 -","- C24 H12 Na2 O13 Sn2 -","- C96 H48 Na8 O52 Sn8 -","4","0.166667","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Acentric and Centric Interpenetrations of an Anionic Framework Mediated by Cation Sizes: The Alkali-Metal Tin(II) Benzenedicarboxylates A2Sn2(bdc)3(H2O)x(A = Li, Na, K, Rb, Cs)","Crystal Growth & Design","2010","10","4","1960","","10.1021/cg100049s","","","0.71073","MoKα","","0.0425","0.0275","","","0.0607","0.0662","","","","","","1.06","","","","has coordinates","179546","2020-10-21","18:00:00",""
"6000749","9.4919","0.0002","9.4919","0.0002","9.4919","0.0002","90","","90","","90","","855.18","0.05","","","293","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi2 Na O11 Sb3 -","- Bi2 Na O11 Sb3 -","- Bi8 Na4 O44 Sb12 -","4","0.166667","","Champarnaud-Mesjard, J.-C.; Frit, B.; Aftati, A.; Elfarissi, M.","NaBi2Sb3O11 - an ordered structure related to the cubic KSbO3 type","European Journal of Solid State and Inorganic Chemistry","1995","32","","493","504","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.0249","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7034661","18.852","0.009","18.852","0.009","18.852","0.009","90","","90","","90","","6700","6","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 Cd3 H38 O76 V12 -","- B18 Cd3 H18 O76 V12 -","- B72 Cd12 H72 O304 V48 -","4","0.166667","","Feng, Yuquan; Qiu, Dongfang; Fan, Huitao; Li, Min; Huang, Qunzeng; Shi, Hengzhen","A new 3-D open-framework cadmium borovanadate with plane-shaped channels and high catalytic activity for the oxidation of cyclohexanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8792","8796","10.1039/c5dt00873e","","","0.71073","MoKα","","0.1468","0.0936","","","0.1828","0.1991","","","","","","1.039","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7039982","16.93","0.005","16.93","0.005","16.93","0.005","90","","90","","90","","4853","2","293","2","293","2","","","","","","","","6","P n -3 :2","-P 2ab 2bc 3","201","","","","- C114 H84 Cl4 Cu4 N24 O0 -","- C114 H84 Cl4 Cu4 N24 -","- C228 H168 Cl8 Cu8 N48 -","2","0.0833333","","Chen, He; Liu, Ping-Xiao; Xu, Ning; Meng, Xing; Wang, Hai-Ning; Zhou, Zi-Yan","A visible light-driven photocatalyst of a stable metal-organic framework based on Cu4Cl clusters and TIPE spacers.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13477","13482","10.1039/c6dt02659a","","","0.71069","MoKα","","0.0919","0.0645","","","0.1862","0.2095","","","","","","1.077","","","","has coordinates","186410","2020-10-21","18:00:00",""
"7041752","18.88","0.002","18.88","0.002","18.88","0.002","90","","90","","90","","6729.9","1.2","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 H6 Li10 O60 V12 -","- B18 H6 Li10 O60 V12 -","- B72 H24 Li40 O240 V48 -","4","0.166667","","Liu, Xinxin; Zhang, Dan; Li, He; Li, Lingyun; Yuan, Hongming","A new 3-D open-framework Li-rich vanadoborate and its high ionic conductivity after transforming into glasses.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2479","2484","10.1039/c6dt04701g","","","0.71073","MoKα","","0.0675","0.0591","","","0.1756","0.1835","","","","","","1.019","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7204050","13.8327","0.0004","13.8327","0.0004","13.8327","0.0004","90","","90","","90","","2646.8","0.13","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl15 Lu3 Nb6 O6 Pb -","- Cl15 Lu3 Nb6 O6 Pb0.956 -","- Cl60 Lu12 Nb24 O24 Pb3.824 -","4","0.166667","","Gulo, Fakhili; Roisnel, Thierry; Perrin, Christiane","The crystal structure of PbLu3Nb6Cl15O6, a new oxychloride based on discrete Nb6Cl12O6 units","Journal of Materials Chemistry","2001","11","4","1237","","10.1039/b008609f","","","0.71073","MoKα","","0.0383","0.0316","","","0.0699","0.0726","","","","","","1.097","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7704771","14.6277","0.0003","14.6277","0.0003","14.6277","0.0003","90","","90","","90","","3129.88","0.11","298","","298","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ba0.85 I14 W6 -","- Ba1.7 I28 W12 -","- Ba3.4 I56 W24 -","2","0.0833333","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.6793","1.3414","","","","","","","has coordinates","254960","2020-10-21","18:00:00",""
"8100080","13.8128","0.0012","13.8128","0.0012","13.8128","0.0012","90","","90","","90","","2635.4","0.4","568","2","293","2","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Br14 Mo6 Tl2 -","- Br14 Mo6 Tl2.005 -","- Br56 Mo24 Tl8.02 -","4","0.166667","","Xu, Wei; Zheng, Yue-Qing; Wang, Ping","Crystal structure of dithallium(I) octa-μ~3~-bromohexabromo- octahedro-hexamolybdate, Tl~2~[(Mo~6~Br~8~)Br~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","97","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100913","12.952","","12.952","","12.952","","90","","90","","90","","2172.75","","293","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl14 Mo6 Sn -","- Cl14 Mo6 Sn -","- Cl56 Mo24 Sn4 -","4","0.166667","","Flemström, A; Lidin, S","Crystal structure of tin octa-μ-chloro-hexachloro-octahedro- molybdate(II), Sn[(Mo~6~Cl~8~)Cl~6~)]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","189240","2020-10-21","18:00:00",""
"8101643","12.8052","0.0005","12.8052","0.0005","12.8052","0.0005","90","","90","","90","","2099.71","0.14","293","2","293","2","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl14 Cu2 W6 -","- Cl14 Cu2 W6 -","- Cl56 Cu8 W24 -","4","0.166667","","Zheng, Yue-Qing; Nuss, Jürgen; von Schnering, Hans Georg","Crystal structure of dicopper(I) octa<i>-μ</i>~3~-chlorohexachloro- <i>octahedro</i>-hexatungstate(2-), Cu~2~[(W~6~Cl)Cl]","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","680","680","","","","","","","","0.0778","","","0.1147","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101644","13.873","0.002","13.873","0.002","13.873","0.002","90","","90","","90","","2670","0.7","293","2","293","2","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Br14 Tl2 W6 -","- Br14 Tl2.005 W6 -","- Br56 Tl8.02 W24 -","4","0.166667","","Zheng, Yue-Qing; Peters, Karl; von Schnering, Hans Georg","Crystal structure of dithallium(I) octa<i>-μ</i>~3~-bromohexabromo- <i>octahedro</i>-hexatungstate(2-), Tl~2~[(W~6~Br)Br]","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","681","682","","","","","","","","0.0478","","","0.1042","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102934","13.8","0.0016","13.8","0.0016","13.8","0.0016","90","","90","","90","","2628.1","0.5","293","2","293","2","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","dipotassium octa-μ~3~-bromohexabromo-octahedro-hexamolybdenate","","- Br14 K2 Mo6 -","- Br14 K2.005 Mo6 -","- Br56 K8.02 Mo24 -","4","0.166667","","Xu, W.; Wang, P.; Zheng, Y.-Q.","Crystal structure of dipotassium octakis(μ~3~-bromo)-hexabromo- octahedro-hexamolybdenate, K~2~[Mo~6~Br~14~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","107","108","","","","0.71073","MoKα","","0.1192","0.0768","","","0.1483","0.1862","","","","","","0.931","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103969","12.921","","12.921","","12.921","","90","","90","","90","","2157.19","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Pb ((Mo Cl)6 Cl8)","","- Cl14 Mo6 Pb -","- Cl14 Mo6 Pb -","- Cl56 Mo24 Pb4 -","4","0.166667","","Boeschen, S.; Keller, H.L.","Darstellung und Kristallstruktur der homologen Reihe Pb Mo6 X14, X = Cl, Br, I","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","305","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103970","13.504","","13.504","","13.504","","90","","90","","90","","2462.56","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Pb ((Mo6 Br8) Br6)","","- Br14 Mo6 Pb -","- Br14 Mo6 Pb -","- Br56 Mo24 Pb4 -","4","0.166667","","Boeschen, S.; Keller, H.L.","Darstellung und Kristallstruktur der homologen Reihe PbMo6X14, X = Cl, Br, I","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","305","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103971","14.429","","14.429","","14.429","","90","","90","","90","","3004.06","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Pb ((Mo6 I8) I6)","","- I14 Mo6 Pb -","- I14 Mo6 Pb -","- I56 Mo24 Pb4 -","4","0.166667","","Boeschen, S.; Keller, H.L.","Darstellung und Kristallstruktur der homologen Reihe PbMo6X14, X = Cl, Br, I","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","305","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103978","11.0148","","11.0148","","11.0148","","90","","90","","90","","1336.38","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Rb3 Cu4 Tm2 Br13","","- Br13 Cu4 Rb3 Tm2 -","- Br13 Cu4 Rb3 Tm2 -","- Br26 Cu8 Rb6 Tm4 -","2","0.0833333","","Bohnsack, A.; Meyer, G.","Crystal structure of trirubidium tetracopper(I) dithulium(III) tridecabromide, Rb3 Cu4 Tm2 Br13","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","162734","2020-10-21","18:00:00",""
"9004490","7.7449","","7.7449","","7.7449","","90","","90","","90","","464.566","","","","","","","","","","","","a 1375 BC shipwreck","4","P n -3 :2","-P 2ab 2bc 3","201","","","Schoenfliesite","- H6 Mg O6 Sn -","- H6 Mg O6 Sn -","- H24 Mg4 O24 Sn4 -","4","0.166667","","Basciano, L. C.; Peterson, R. C.; Roeder, P. L.","Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck","The Canadian Mineralogist","1998","36","","1203","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004491","7.8744","","7.8744","","7.8744","","90","","90","","90","","488.261","","","","","","","","","","","","a 1375 BC shipwreck","4","P n -3 :2","-P 2ab 2bc 3","201","","","Wickmanite","- H6 Mn O6 Sn -","- H6 Mn O6 Sn -","- H24 Mn4 O24 Sn4 -","4","0.166667","","Basciano, L. C.; Peterson, R. C.; Roeder, P. L.","Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck","The Canadian Mineralogist","1998","36","","1203","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004492","8.1221","","8.1221","","8.1221","","90","","90","","90","","535.803","","","","","","","","","","","","a 1375 BC shipwreck","4","P n -3 :2","-P 2ab 2bc 3","201","","","Burtite","- Ca H6 O6 Sn -","- Ca H6 O6 Sn -","- Ca4 H24 O24 Sn4 -","4","0.166667","","Basciano, L. C.; Peterson, R. C.; Roeder, P. L.","Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck","The Canadian Mineralogist","1998","36","","1203","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9009699","7.8","","7.8","","7.8","","90","","90","","90","","474.552","","","","","","","","","","","","Synthetic","4","P n -3 :2","-P 2ab 2bc 3","201","","","Vismirnovite","- H6 O6 Sn Zn -","- H6 O6 Sn Zn -","- H24 O24 Sn4 Zn4 -","4","0.166667","","Cohen-Addad C","Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par diffraction des rayons X et resonance magnetique nucleaire Note: schoenfliesite group","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1967","90","","32","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009700","8.15","","8.15","","8.15","","90","","90","","90","","541.343","","","","","","","","","","","","Synthetic","4","P n -3 :2","-P 2ab 2bc 3","201","","","Burtite","- Ca H6 O6 Sn -","- Ca H6 O6 Sn -","- Ca4 H24 O24 Sn4 -","4","0.166667","","Cohen-Addad C","Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par diffraction des rayons X et resonance magnetique nucleaire Note: schoenfliesite group","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1967","90","","32","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9012832","7.757","","7.757","","7.757","","90","","90","","90","","466.747","","","","","","","","","","","","Synthetic","3","P n -3 :2","-P 2ab 2bc 3","201","","","Jeanbandyite","- Fe O6 Sn -","- Fe O6 Sn -","- Fe4 O24 Sn4 -","4","0.166667","","Morgenstern-Badarau I; Michel, A.","Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV)","Journal of Inorganic and Nuclear Chemistry","1976","38","","1400","1402","10.1016/0022-1902(76)80168-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9017280","15.9507","","15.9507","","15.9507","","90","","90","","90","","4058.25","","","","","","","","","","","","Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola","7","P n -3 :2","-P 2ab 2bc 3","201","","","Cafarsite","- As28 Ca16 F0.941 Fe7.536 Mn2 O84 Ti6 -","- As56 Ca32.288 F1.882 Fe15.072 Mn4 O170.256 Ti12 -","- As56 Ca32.288 F1.882 Fe15.072 Mn4 O170.256 Ti12 -","","","","Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.","On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xray final province, Italy","Physics and Chemistry of Minerals","2018","45","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017281","15.9507","","15.9507","","15.9507","","90","","90","","90","","4058.25","","","","","","","","","","","","Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola","7","P n -3 :2","-P 2ab 2bc 3","201","","","Cafarsite","- As28 Ca16 F Fe7.278 Mn1.94 O84 Ti5.31 -","- As56 Ca32 F2 Fe14.556 Mn3.88 O168 Ti10.62 -","- As56 Ca32 F2 Fe14.556 Mn3.88 O168 Ti10.62 -","","","","Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.","On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: neutron diffraction province, Italy","Physics and Chemistry of Minerals","2018","45","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017282","15.9507","","15.9507","","15.9507","","90","","90","","90","","4058.25","","","","","","","","","","","","Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola","7","P n -3 :2","-P 2ab 2bc 3","201","","","Cafarsite","- As28 Ca16 F0.969 Fe7.506 Mn2 O84 Ti6 -","- As56 Ca32.288 F1.938 Fe15.012 Mn4 O168 Ti12 -","- As56 Ca32.288 F1.938 Fe15.012 Mn4 O168 Ti12 -","","","","Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.","On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xraysplit final province, Italy","Physics and Chemistry of Minerals","2018","45","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""