# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T14:49:01+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 1 21/a' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001096","14.391","0.01","7.196","0.005","6.045","0.005","90","","90","","112.08","0.05","580.1","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Triyttrium rhenium(VII) oxide - $-beta temperature of 1173K","","- O8 Re Y3 -","- O8 Re Y3 -","- O32 Re4 Y12 -","4","1","","Baud, G; Besse, J P; Chevalier, R; Gasperin, M","Les differentes formes cristallines de Y~3~ Re O~8~: Relations avec la structure fluorine","Journal of Solid State Chemistry","1981","38","","186","191","10.1016/0022-4596(81)90034-7","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006169","5.479","","7.686","","5.453","","90","","90","","90.3","","229.6","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-x Srx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006170","5.5062","","7.672","","5.435","","90","","90","","90.49","","229.6","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-xSrx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006171","5.498","","7.672","","5.435","","90","","90","","90.47","","229.2","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-x Srx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006172","5.494","","7.675","","5.436","","90","","90","","90.5","","229.2","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-x Srx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008646","5.5936","0.00004","7.75951","0.00005","5.5649","0.00003","90","","90","","90.125","0.0004","241.5","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","1","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008647","5.5917","0.0003","7.7516","0.0004","5.5623","0.0003","90","","90","","90.129","0.006","241.1","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","1","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1517849","5.636","0.001","17.428","0.003","13.353","0.003","90","","90","","89.86","0.02","1311.6","0.4","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- O4 Re Tl -","- O4 Re Tl -","- O48 Re12 Tl12 -","12","3","","Rogner, P.; Range, K. J.","The crystal structure of beta-thallium perrhenate'","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1017","1022","","","x-ray","0.71073","MoKα","","","0.063","","","0.053","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521823","11.081","","10.559","","17.265","","90","","90","","127.68","","1598.77","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","K2 Ba2 (V10 O28) (H2 O)8","","- Ba2 H16 K2 O36 V10 -","- Ba2 K2 O36 V10 -","- Ba4 K4 O72 V20 -","2","0.5","","Rastsvetaeva, R.K.","Crystal structure of new potasium-barium decavanadate","Kristallografiya","1999","44","","1027","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526487","14.96","","7.476","","6.116","","90","","90","","110.46","","640.869","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Pr3 (Re O8)","","- O8 Pr3 Re -","- O8 Pr3 Re -","- O32 Pr12 Re4 -","4","1","","Jeitschko, W.; Heumannskaemper, D.H.; Rodewald, U.C.; Schriewer-Poettgen, M.S.","Preparation and crystal structure of rare earth rhenates: the series Ln5 Re2 O12 with Ln = Y, Gd-Lu, and the praseodymium rhenates Pr3 Re O8, Pr3 Re2 O10 and Pr4 Re2 O11","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","80","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528639","9.789","","9.882","","16.868","","90","","90","","89.95","","1631.72","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","Ba (U O2)2 (P O4)2 (H2 O)6","","- Ba H12 O18 P2 U2 -","- Ba O18 P2 U2 -","- Ba4 O72 P8 U8 -","4","1","","Khosrawan-Sazedj, F.","The crystal structure of meta-uranocircite II, Ba (U O2)2 (P O4)2 (H2 O)6","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1982","29","","193","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529952","6.877","","9.575","","18.871","","90","","90","","102.61","","1212.63","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","(Gd (H C O3)3 (H2 O)4) (H2 O)","","- C3 H13 Gd O14 -","- C3 Gd O14 -","- C12 Gd4 O56 -","4","1","","Furmanova, N.G.; Soboleva, L.V.; Belyaev, L.M.","The crystal structure of gadolinium bicarbonate pentahydrate","Kristallografiya","1981","26","","312","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532394","7.8282","","15.2072","","7.9902","","90","","90","","93.82","","949.08","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Pr5 (Si2 Ge2)","","- Ge2 Pr5 Si2 -","- Ge2 Pr5 Si2 -","- Ge8 Pr20 Si8 -","4","1","","Yang, H.F.; Chu, W.G.; Rao, G.-H.; Liu, G.Y.; Liang, J.K.; Ouyang, Z.W.","Crystal structure and phase relationships in the pseudobinary system (Pr5 Si4) - (Pr5 Ge4)","Journal of Alloys Compd.","2002","339","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532397","7.7674","","15.1133","","7.9409","","90","","90","","93.6","","930.351","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Nd5 (Si2 Ge2)","","- Ge2 Nd5 Si2 -","- Ge2 Nd5 Si2 -","- Ge8 Nd20 Si8 -","4","1","","Yang, H.F.; Liu, G.Y.; Rao, G.-H.; Feng, X.M.; Liu, W.F.; Ouyang, Z.W.; Chu, W.G.; Liang, J.K.","Crystal structure and phase relationships in the pseudobinary system (Nd5 Si4) - (Nd5 Ge4)","Journal of Alloys Compd.","2002","346","","190","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533244","7.7486","","15.0729","","7.9648","","90","","90","","92.29","","929.497","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Gd3 La2 Ge4","","- Gd3 Ge4 La2 -","- Gd3 Ge4 La2 -","- Gd12 Ge16 La8 -","4","1","","Yang, H.F.; Liang, J.K.; Liu, G.Y.; Rao, G.-H.; Chu, W.G.; Ouyang, Z.W.; Feng, X.M.; Liu, W.F.","Crystal structures of compounds in the pseudobinary system (Gd5 Ge4) - (La5 Ge4)","Journal of Alloys Compd.","2003","361","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533997","7.346","","14.375","","7.5571","","90","","90","","92.992","","796.932","","","","","","","","","","","","","2","P 1 1 21/a","-P 2ac","14","","","","- Er5 Si4 -","- Er5 Si4 -","- Er20 Si16 -","4","1","","Pecharskii, V.K.; Gschneidner, K.A.jr.; Pecharsky, A.O.; Mozharivsky, Yu.; Miller, G.J.","Decoupling of the magnetic and structural transformations in Er5 Si4","Physical Review Letters","2003","91","","207205-1","207205-4","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535024","8.6617","","9.706","","18.601","","90","","90","","83.635","","1554.16","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","(Te4 (As F6)2) (S O2)","","- As2 F12 O2 S Te4 -","- As2 F12 O2 S Te4 -","- As8 F48 O8 S4 Te16 -","4","1","","Beck, J.; Steden, F.; Reich, A.; Foelsing, H.","Synthese, Struktur und Phasenumwandlung von Te4 (As F6)2 * (S O2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1073","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535260","12.739","","6.881","","12.621","","90","","90","","89.36","","1106.25","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","K Dy2 Cl7","","- Cl7 Dy2 K -","- Cl7 Dy2 K -","- Cl28 Dy8 K4 -","4","1","","Meyer, G.","K Dy2 Cl7 und Rb Dy2 Cl7, Phyllochlorodysprosate(III) mit flaechen- und kantenverknuepften einfach bekappten trigonalen Prismen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","491","","217","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535850","12.539","","7.493","","6.463","","90","","90","","64.73","","549.121","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","K2 (Sb F5)","","- F5 K2 Sb -","- F5 K2 Sb -","- F20 K8 Sb4 -","4","1","","Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.","X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.","Kristallografiya","1992","37","","735","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537305","9.843","","10.023","","10.616","","90","","90","","92.42","","1046.4","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","Ca0.92 (Al1.8 Si2.2 O8) (H2 O)4.32","","- Al1.8 Ca0.92 H8.64 O12.32 Si2.2 -","- Al1.8 Ca0.918 O12.32 Si2.2 -","- Al7.2 Ca3.672 O49.28 Si8.8 -","4","1","","Fischer, K.F.; Schramm, V.","Crystal structure of gismondite, a detailed refinement","Advances in Chemistry Series","1971","101","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542041","17.511","","9.13","","6.274","","90","","90","","90","","1003.06","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","Li N H4 S O4","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Kruglik, A.I.; Simonov, M.A.; Aleksandrov, K.S.","Crystal structure of the low-temperature III phase of lithium ammonium sulfate","Kristallografiya","1978","23","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1564949","6.8697","0.0019","15.96","0.002","11.1099","0.0018","90","","90","","95.074","0.017","1213.3","0.4","295.4","0.4","295.4","0.4","","","2029000","","","Pressurized to 2.0 GPa and left to stabilize over 24 hours.","","3","P 1 1 21/a","-P 2ac","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.2303","0.0813","","","0.1556","0.1843","","","","","","0.868","","","","has coordinates","269978","2021-10-16","02:10:40",""
"2001793","9.12","0.005","9.157","0.005","17.505","0.004","90","","90","","123.98","0.03","1212.2","1.1","","","","","","","","","","","","7","P 1 1 21/a","-P 2ac","14","","","","- C4 H10 Br3 K O Pt S -","- C4 H10 Br3 K O Pt S -","- C16 H40 Br12 K4 O4 Pt4 S4 -","4","1","VS1000","Belsky, V. K.; Konovalov, V. E.; Kukushkin, V. Yu.","Structure of potassium tribromo(diethyl sulfoxide)platinate(II)","Acta Crystallographica Section C","1993","49","4","751","752","10.1107/S0108270192008308","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208448","2020-10-21","18:00:00",""
"2107063","14.765","","7.383","","6.076","","90","","90","","110.95","","618.559","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Sm3 Re O8","","- O8 Re Sm3 -","- O8 Re Sm3 -","- O32 Re4 Sm12 -","4","1","","Besse, J.P.; Bolte, M.; Baud, G.; Chevalier, R.","Structure cristalline d'oxydes doubles de rhenium. I. Sm3 Re O8","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3045","3048","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107098","7.893","","7.641","","12.702","","90","","90","","101.39","","750.976","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","La2 Ge S5","","- Ge La2 S5 -","- Ge La2 S5 -","- Ge4 La8 S20 -","4","1","","Mazurier, A.; Etienne, J.","Structure cristalline de La Ge S5","Acta Crystallographica B (24,1968-38,1982)","1973","29","","817","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001970","7.6327","0.0012","14.909","0.0019","7.8481","0.0007","90","","90","","92.976","0.012","891.9","0.2","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","1","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.1343","0.0468","","","0.0559","0.073","","","","","","0.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060021","7.5856","0.0009","14.81","0.0016","7.7855","0.0009","90","","90","","93.223","0.002","873.26","0.17","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Gd5 Ge1.99 Si2.02 -","- Gd5 Ge1.983 Si2.017 -","- Gd20 Ge7.932 Si8.068 -","4","1","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0493","0.0311","","","0.0545","0.0578","","","","","","0.967","","","","has coordinates","277847","2022-09-14","22:28:00",""
"4312728","7.5867","0.001","14.798","0.002","7.7811","0.0011","90","","90","","93.265","0.002","872.2","0.2","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Gd5 Ge2.03 Si1.98 -","- Gd5 Ge2.155 Si1.84 -","- Gd20 Ge8.62 Si7.36 -","4","1","","Wonyoung Choe; A. O. Pecharsky; Michael Wörle; Gordon J. Miller","""Nanoscale Zippers"" in Gd5(SixGe1-x)4: Symmetry and Chemical Influences on the Nanoscale Zipping Action","Inorganic Chemistry","2003","42","","8223","8229","10.1021/ic034941z","","","0.71073","MoKα","","0.0836","0.0419","","","0.0754","0.0829","","","","","","0.811","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4314230","13.1994","0.0004","7.68278","0.00019","11.2373","0.00026","90","","90","","91.2331","0.0026","1139.29","0.05","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","","","- C3 Ge3 N2 O9 Zr -","- C3 Ge3 N2 O9 Zr -","- C12 Ge12 N8 O36 Zr4 -","4","1","","Jacques Plévert; Rebeca Sanchez-Smith; Travis M. Gentz; Hailian Li; Thomas L. Groy; Omar M. Yaghi; Michael O'Keeffe","Synthesis and Characterization of Zirconogermanates","Inorganic Chemistry","2003","42","","5954","5959","10.1021/ic034298g","","","","","","","","","","","","","","","","","","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4516360","22.096","0.012","9.507","0.005","3.6415","0.0015","90","","90","","95.05","0.06","762","0.7","295","2","295","2","","","1020000","","","","","3","P 1 1 21/a","-P 2ac","14","pyrimidine","pyrimidine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C32 H32 N16 -","8","2","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0517","0.0407","","","0.0649","0.0696","","","","","","1.194","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516361","22.069","0.012","9.51","0.004","3.6252","0.0008","90","","90","","95.13","0.04","757.8","0.5","295","2","295","2","","","1070000","","","","","3","P 1 1 21/a","-P 2ac","14","pyrimidine","pyrimidine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C32 H32 N16 -","8","2","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0852","0.0651","","","0.081","0.0876","","","","","","1.19","","","","has coordinates","231268","2020-10-21","18:00:00",""
"6000178","14.98","0.002","7.4909","0.0008","6.1048","0.0009","90","","90","","110.39","0.01","642.12","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- O8 Pr3 Re -","- O8 Pr3 Re -","- O32 Pr12 Re4 -","4","1","","Jeitschko, W.; Heumannskamper, D. K.; Rodewald, U. C.; Schriewer-Pottgen, M. S.","Preparation and crystal structure of rare earth rhenates: the series Ln(5)Re(2)O(12) with Ln = Y, Gd-Lu, and the praseodymium rhenates Pr3ReO8, Pr3Re2O10, and Pr4Re2O11","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","80","88","10.1002/(SICI)1521-3749(200001)626:1<80::AID-ZAAC80>3.0.CO;2-S","","","","","","","0.017","","","0.017","","","","","","","","","","","has coordinates","203888","2020-10-21","18:00:00",""
"7201236","7.0157","0.0008","6.4219","0.0013","35.465","0.005","90","","90","","92.255","0.013","1596.6","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 1 21/a","-P 2ac","14","","","","- C22 H22 As F6 N2 O2 S12 -","- C22 H22 As F6 N2 O2 S12 -","- C44 H44 As2 F12 N4 O4 S24 -","2","0.5","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","","0.71073","MoKα","","0.1471","0.0784","","","0.1832","0.216","","","","","","1.012","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201237","6.9762","0.0009","6.48","0.0012","32.671","0.009","90","","90","","92.446","0.018","1475.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 1 21/a","-P 2ac","14","","","","- C22 H22 Br N2 O2 S12 -","- C22 H22 Br N2 O2 S12 -","- C44 H44 Br2 N4 O4 S24 -","2","0.5","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","","0.71073","MoKα","","0.1026","0.0571","","","0.1274","0.1421","","","","","","1.002","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"8103423","15.849","","17.914","","5.901","","90","","90","","116.42","","1500.42","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","(Ag0.375 Pb0.25 Sb0.375)8 S8","","- Ag3 Pb2 S8 Sb3 -","- Ag3 Pb2 S8 Sb3 -","- Ag12 Pb8 S32 Sb12 -","4","1","","Hellner, E.","Ueber komplex zusammengesetzte Spiessglanze III. Zur Struktur des Diaphorits, Ag3 Pb2 Sb3 S8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1958","110","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103597","10.877","","10.854","","15.135","","90","","90","","90.1","","1786.82","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Ca8.25 Na1.5 (Al6 O18)","","- Al6 Ca8.25 Na1.5 O18 -","- Al6 Ca8.25 Na1.5 O18 -","- Al24 Ca33 Na6 O72 -","4","1","","Takeuchi, Y.; Nishi, F.; Maki, I.","Crystal chemical characterisation of the (Ca O)3 * (Al2 O3) - (Na2 O) solid-solution series","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","259","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103598","10.844","","10.855","","15.122","","90","","90","","90.38","","1780","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","Ca7.902 Na1.73 (Al5.5 Si0.5 O18)","","- Al5.5 Ca7.902 Na1.73 O18 Si0.5 -","- Al5.5 Ca7.902 Na1.73 O18 Si0.5 -","- Al22 Ca31.608 Na6.92 O72 Si2 -","4","1","","Takeuchi, Y.; Nishi, F.; Maki, I.","Crystal chemical characterization of the (Ca O)3 * (Al2 O3) - (Na2 O) solid-solution series","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","259","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9009606","9.789","","9.882","","16.868","","90","","90","","89.95","","1631.72","","","","","","","","","","","","","5","P 1 1 21/a","-P 2ac","14","","","Metauranocircite II","- Ba0.92 H12 O18 P2 U2 -","- Ba0.92 H12 O18 P2 U2 -","- Ba3.68 H48 O72 P8 U8 -","4","1","","Khosrawan-Sazedj F","The crystal structure of meta-uranocircite II, Ba(UO2)2(PO4)2*6H2O Locality: synthetic","Tschermaks Mineralogische und Petrographische Mitteilungen","1982","29","","193","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""