# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T13:32:56+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Solid State Chemistry') AND volume = 200 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
"1529266","10.5182","0.00013","10.5182","0.00013","10.5182","0.00013","90","","90","","90","","1163.66","0.02","573","","573","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","CsFe2F6","- Cs4 F24 Fe8 -","- Cs4 F24 Fe8 -","- Cs8 F48 Fe16 -","2","0.0104167","","Molokeev, Maxim; Bogdanov, Evgeniy; Misjul', Sergey; Tressaud, Alain; Flerov, Igor","Crystal structure and phase transition mechanisms in CsFe2F6","Journal of Solid State Chemistry","2013","200","0","157","","10.1016/j.jssc.2013.01.038","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.28","","","","1.49","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529267","7.24433","0.0001","7.482292","0.000094","10.42376","0.00013","90","","90","","90","","565.011","0.013","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","CsFe2F6","- Cs F6 Fe2 -","- Cs F6 Fe2 -","- Cs4 F24 Fe8 -","4","0.5","","Molokeev, Maxim; Bogdanov, Evgeniy; Misjul', Sergey; Tressaud, Alain; Flerov, Igor","Crystal structure and phase transition mechanisms in CsFe2F6","Journal of Solid State Chemistry","2013","200","0","157","","10.1016/j.jssc.2013.01.038","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","","","","2.065","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1562698","14.74","0.003","7.292","0.0015","7.574","0.0015","90","","111.61","0.03","90","","756.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.5 H2.5 N2.5 O2.5 -","- C2.5 H2.5 N2.5 O2.5 -","- C20 H20 N20 O20 -","8","1","","Liu, Jin-jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb2(C5H3N5O5)2(NMP)·NMP]","Journal of Solid State Chemistry","2013","200","","43","48","10.1016/j.jssc.2013.01.014","","","0.71073","MoKα","","0.0638","0.0493","","","0.1482","0.1625","","","","","","1.007","","","","has coordinates","265358","2021-05-20","07:36:58",""
"1562699","13.1297","0.0003","13.1297","0.0003","16.7858","0.0008","90","","90","","90","","2893.69","0.17","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H24 N12 O12 Pb2 -","- C20 H24 N12 O12 Pb2 -","- C80 H96 N48 O48 Pb8 -","4","1","","Liu, Jin-jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb2(C5H3N5O5)2(NMP)·NMP]","Journal of Solid State Chemistry","2013","200","","43","48","10.1016/j.jssc.2013.01.014","","","0.71073","MoKα","","0.0454","0.0387","","","0.0785","0.0827","","","","","","1.006","","","","has coordinates","265358","2021-05-20","07:37:10",""
"1562700","13.3326","0.0003","22.457","0.0005","21.9599","0.0005","90","","115.905","0.001","90","","5914.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Mo12 N12 O42 Si -","- C27 H41 Mo12 N12 O42 Si -","- C108 H164 Mo48 N48 O168 Si4 -","4","1","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic‒organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0518","0.0441","","","0.1161","0.1195","","","","","","1.129","","","","has coordinates","265360","2021-05-20","07:42:27",""
"1562701","14.3504","0.0002","14.3504","0.0002","29.0183","0.0006","90","","90","","90","","5975.85","0.17","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H47 Mo12 N11 O46 Si -","- C25 H47 Mo12 N11 O46 Si -","- C100 H188 Mo48 N44 O184 Si4 -","4","0.5","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic–organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0784","0.0484","","","0.1268","0.1462","","","","","","1.082","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1562702","21.584","0.004","21.584","0.004","10.475","0.004","90","","90","","120","","4226","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H42 Mo12 N12 O40 Si -","- C30 H42 Mo12 N12 O40 Si -","- C90 H126 Mo36 N36 O120 Si3 -","3","0.166667","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic‒organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0704","0.0632","","","0.1689","0.1756","","","","","","1.008","","","","has coordinates,has disorder","265360","2021-05-20","07:42:28",""
"1562703","6.8414","0.0004","9.444","0.0005","10.4203","0.0005","116.501","0.0019","92.729","0.002","90.778","0.003","601.38","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H11 F4 N3 O V -","- C10 H11 F4 N3 O V -","- C20 H22 F8 N6 O2 V2 -","2","1","","Lu, Hongcheng; Gautier, Romain; Li, Zuo-Xi; Jie, Wanqi; Liu, Zhengtang; Poeppelmeier, Kenneth R.","The dimeric [V2O2F8]4− anion: Structural characterization of a magnetic basic-building-unit","Journal of Solid State Chemistry","2013","200","","105","109","10.1016/j.jssc.2013.01.021","","x-ray","0.71069","MoKα","","0.0395","0.0356","","","0.0961","0.0988","","","","","","1.046","","","","has coordinates","265361","2021-05-20","07:48:49",""
"1562704","4.9972","0.0001","11.0259","0.0003","17.4912","0.0005","90","","90","","90","","963.74","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","copper molybdate lyonsite","","","- Cu3.83 Mo3 O12 -","- Cu3.815 Mo3 O12 -","- Cu15.26 Mo12 O48 -","4","1","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Improved synthesis and characterization of the copper Lyonsite-type compound Cu4−xMo3O12","Journal of Solid State Chemistry","2013","200","","165","169","10.1016/j.jssc.2013.01.017","","","0.71073","MoKα","","0.0204","0.0198","","","0.0502","0.0504","","","","","","1.499","","","","has coordinates","265362","2021-05-20","08:02:10",""
"1562705","9.9653","0.0015","10.5546","0.0015","14.521","0.002","85.115","0.003","77.177","0.003","74.563","0.003","1434.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Ag4 N12 O14 -","- C60 H54 Ag4 N12 O14 -","- C60 H54 Ag4 N12 O14 -","1","0.5","","Duan, Xian-Ying; Yao, Jing; Lu, Chang-Sheng; Meng, Qing-Jin","A novel polythreading Ag(I) coordination polymer with blue photoluminescence","Journal of Solid State Chemistry","2013","200","","197","201","10.1016/j.jssc.2013.01.029","","","0.71073","MoKα","","0.0705","0.052","","","0.1003","0.1091","","","","","","1.013","","","","has coordinates","265363","2021-05-20","08:06:52",""
"1562706","7.73734","0.00006","13.606","0.0011","6.29592","0.00005","90","","99.0077","0.0008","90","","654.62","0.05","25","","25","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 O8 P2 V -","- Ag2 O8 P2 V -","- Ag8 O32 P8 V4 -","4","1","","Takeuchi, Esther S.; Lee, Chia-Ying; Cheng, Po-Jen; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Kenneth J.","Silver vanadium diphosphate Ag2VP2O8: Electrochemistry and characterization of reduced material providing mechanistic insights","Journal of Solid State Chemistry","2013","200","","232","240","10.1016/j.jssc.2013.01.020","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.08389","","1.41","","","","","","","has coordinates","265364","2021-05-20","08:13:56",""
"1562707","13.5616","0.0008","4.1159","0.0002","9.3548","0.0006","90","","115.891","0.004","90","","469.76","0.05","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba2 Cu2 S5 Th -","- Ba2 Cu2 S5 Th -","- Ba4 Cu4 S10 Th2 -","2","0.25","","Mesbah, Adel; Lebègue, Sébastien; Klingsporn, Jordan M.; Stojko, Wojciech; Van Duyne, Richard P.; Ibers, James A.","Synthesis, crystal structure, and optical properties of Ba2Cu2ThS5, and electronic structures of Ba2Cu2ThS5 and Ba2Cu2US5","Journal of Solid State Chemistry","2013","200","","349","353","10.1016/j.jssc.2013.01.016","","","0.71073","MoKα","","0.031","0.0238","","","0.0458","0.0477","","","","","","1.154","","","","has coordinates","265365","2021-05-20","08:23:25",""