# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-12T22:29:32+02:00
# 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 = 199 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
"1562708","18.076","0.002","5.4223","0.0007","22.867","0.002","90","","125.587","0.007","90","","1822.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi9 Br O18 P2 -","- Bi9 Br O18 P2 -","- Bi36 Br4 O72 P8 -","4","1","","Kozin, Michael S.; Aliev, Almaz; Colmont, Marie; Mentré, Olivier; Siidra, Oleg I.; Krivovichev, Sergey V.","Novel bismuth oxophosphate halides [Bi8O8][BiO2](PO4)2X (X=Cl, Br) based on oxocentered 2D blocks and their relationships to the Aurivillius phases","Journal of Solid State Chemistry","2013","199","","56","61","10.1016/j.jssc.2012.11.028","","","0.71073","MoKα","","0.064","0.0333","","","0.0555","0.0682","","","","","","1.008","","","","has coordinates","265366","2021-05-20","08:31:54",""
"1562709","17.9512","0.0006","5.3972","0.0002","22.9264","0.0006","90","","125.708","0.002","90","","1803.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi9 Cl O18 P2 -","- Bi9 Cl O18 P2 -","- Bi36 Cl4 O72 P8 -","4","1","","Kozin, Michael S.; Aliev, Almaz; Colmont, Marie; Mentré, Olivier; Siidra, Oleg I.; Krivovichev, Sergey V.","Novel bismuth oxophosphate halides [Bi8O8][BiO2](PO4)2X (X=Cl, Br) based on oxocentered 2D blocks and their relationships to the Aurivillius phases","Journal of Solid State Chemistry","2013","199","","56","61","10.1016/j.jssc.2012.11.028","","","0.71073","MoKα","","0.0414","0.0246","","","0.0409","0.0448","","","","","","1.011","","","","has coordinates","265366","2021-05-20","08:31:56",""
"1562710","5.21143","0.0003","8.9288","0.0004","5.17679","0.0003","90","","110.783","0.0033","90","","225.21","0.02","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Li4.02 O6 Te Zn0.98 -","- Li4.025 O6 Te Zn0.975 -","- Li8.05 O12 Te2 Zn1.95 -","2","0.25","","Nalbandyan, V.B.; Avdeev, M.; Evstigneeva, M.A.","Crystal structure of Li4ZnTeO6 and revision of Li3Cu2SbO6","Journal of Solid State Chemistry","2013","199","","62","65","10.1016/j.jssc.2012.11.027","","","","","","","","","","","","","","1.94","","","","","","","has coordinates","265367","2021-05-20","08:40:55",""
"1562711","11.832","0.002","11.973","0.002","20.593","0.004","89.23","0.03","81.65","0.03","62.95","0.03","2566","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Co2 H44 K0.5 Mn Na2.5 O60 V13 -","- Co2 K0.5 Mn Na2.5 O60 V13 -","- Co4 K Mn2 Na5 O120 V26 -","2","1","","Lan, Qing; Tan, Huaqiao; Liu, Ding; Wang, Enbo","A series of inorganic aggregates composed of [MnV13O38]7− polyoxoanions and transition metal cations","Journal of Solid State Chemistry","2013","199","","129","133","10.1016/j.jssc.2012.12.005","","","0.71073","MoKα","","0.0766","0.0547","","","0.1441","0.1611","","","","","","0.991","","","","has coordinates,has disorder","265368","2021-05-20","08:54:03",""
"1562712","11.871","0.002","12.102","0.002","20.648","0.004","89.37","0.03","81.5","0.03","62.72","0.03","2602","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H44 K1.5 Mn3 Na1.5 O60 V13 -","- K1.5 Mn3 Na1.5 O60 V13 -","- K3 Mn6 Na3 O120 V26 -","2","1","","Lan, Qing; Tan, Huaqiao; Liu, Ding; Wang, Enbo","A series of inorganic aggregates composed of [MnV13O38]7− polyoxoanions and transition metal cations","Journal of Solid State Chemistry","2013","199","","129","133","10.1016/j.jssc.2012.12.005","","","0.71073","MoKα","","0.0942","0.0639","","","0.1632","0.1827","","","","","","1.07","","","","has coordinates","265368","2021-05-20","08:54:12",""
"1562713","11.871","0.002","11.972","0.002","20.475","0.004","89.45","0.03","81.65","0.03","62.78","0.03","2554.9","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- H44 K0.5 Mn Na2.5 Ni2 O60 V13 -","- K0.5 Mn Na2.5 Ni2 O60 V13 -","- K Mn2 Na5 Ni4 O120 V26 -","2","1","","Lan, Qing; Tan, Huaqiao; Liu, Ding; Wang, Enbo","A series of inorganic aggregates composed of [MnV13O38]7− polyoxoanions and transition metal cations","Journal of Solid State Chemistry","2013","199","","129","133","10.1016/j.jssc.2012.12.005","","","0.71073","MoKα","","0.1539","0.0813","","","0.1918","0.2398","","","","","","1.014","","","","has coordinates,has disorder","265368","2021-05-20","08:54:26",""
"1562714","21.868","0.0013","17.7441","0.001","16.8275","0.001","90","","90","","90","","6529.5","0.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H30 Cu4 N10 O40 Si W12 -","- C40 H30 Cu4 N10 O40 Si W12 -","- C160 H120 Cu16 N40 O160 Si4 W48 -","4","1","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells‒Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.0631","0.0548","","","0.129","0.1333","","","","","","1.067","","","","has coordinates","265369","2021-05-20","09:04:10",""
"1562715","14.054","0.003","27.204","0.005","25.591","0.005","90","","90","","90","","9784","3","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C96 H0 Ag12 N24 O140 P4 W36 -","- C96 Ag12 N24 O140 P4 W36 -","- C192 Ag24 N48 O280 P8 W72 -","2","0.125","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells‒Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.1053","0.0732","","","0.1885","0.2119","","","","","","1.171","","","","has coordinates,has disorder","265369","2021-05-20","09:04:14",""
"1562716","12.3038","0.0013","14.0585","0.0014","19.6629","0.0018","83.498","0.002","74.466","0.001","71.509","0.001","3106.2","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Ag8 N16 O84 Si2 W24 -","- C64 H56 Ag8 N16 O84 Si2 W24 -","- C64 H56 Ag8 N16 O84 Si2 W24 -","1","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells–Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.0843","0.0789","","","0.1728","0.1755","","","","","","1.133","","","","has coordinates","288646","2024-01-03","15:10:25",""
"1562718","12.1193","0.0011","12.1193","0.0011","14.8934","0.0017","90","","90","","120","","1894.4","0.3","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3.69 S6 U -","- Ba3.694 S6 U -","- Ba22.164 S36 U6 -","6","0.166667","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0189","0.0157","","","0.0314","0.032","","","","","","1.242","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562719","8.4335","0.0004","7.5037","0.0003","11.7695","0.0005","90","","90.613","0.002","90","","744.76","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba S5 U2 -","- Ba S5 U2 -","- Ba4 S20 U8 -","4","1","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0291","0.0236","","","0.0448","0.0463","","","","","","1.033","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562720","7.4791","0.0006","10.326","0.001","7.1722","0.0006","90","","90","","90","","553.9","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba S3 U -","- Ba S3 U -","- Ba4 S12 U4 -","4","0.5","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0333","0.0242","","","0.0533","0.0565","","","","","","1.116","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562721","10.643","0.003","20.613","0.004","10.78","0.003","90","","114.144","0.007","90","","2158.1","1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co Hg N6 S5 Sb2 -","- C8 H21 Co Hg N6 S5 Sb2 -","- C32 H84 Co4 Hg4 N24 S20 Sb8 -","4","1","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.0464","0.0314","","","0.0811","0.0969","","","","","","1.117","","","","has coordinates","265371","2021-05-20","09:15:36",""
"1562722","10.5862","0.0011","20.619","0.0018","10.761","0.0011","90","","114.015","0.002","90","","2145.6","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg N6 Ni S5 Sb2 -","- C8 H26 Hg N6 Ni S5 Sb2 -","- C32 H104 Hg4 N24 Ni4 S20 Sb8 -","4","1","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.0436","0.0355","","","0.0735","0.0795","","","","","","1.105","","","","has coordinates","265371","2021-05-20","09:15:48",""
"1562723","7.0893","0.0016","28.258","0.006","7.9381","0.0018","90","","98.424","0.005","90","","1573.1","0.6","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H15 Hg N3 S14 Sb8 -","- C4 Hg N3 S14 Sb8 -","- C8 Hg2 N6 S28 Sb16 -","2","0.5","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.04","0.0332","","","0.0737","0.0832","","","","","","1.074","","","","has coordinates","265371","2021-05-20","09:15:49",""
"1562724","11.6855","0.0012","11.2986","0.0011","30.825","0.003","90","","96.217","0.002","90","","4045.9","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Co2 N12 S9 Sb4 -","- C16 H37 Co2 N12 S9 Sb4 -","- C64 H148 Co8 N48 S36 Sb16 -","4","1","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.0441","0.039","","","0.0833","0.0857","","","","","","1.087","","","","has coordinates","265371","2021-05-20","09:15:49",""