# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T07:08:40+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 = 187 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
"1563016","8.4324","0.001","9.1762","0.0011","9.5654","0.0012","90","","98.418","0.012","90","","732.17","0.16","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H11 B F4 N2 -","- C4 H11 B F4 N2 -","- C16 H44 B4 F16 N8 -","4","2","","Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.","Crystal structure and characterization of the novel hydrogen bonded polar crystal","Journal of Solid State Chemistry","2012","187","","35","44","10.1016/j.jssc.2011.12.020","","","0.71073","MoKα","","0.1072","0.0508","","","0.1141","0.1363","","","","","","0.903","","","","has coordinates","265642","2021-06-01","07:49:16",""
"1563017","6.2532","0.0013","11.841","0.002","13.328","0.003","110.76","0.03","94.47","0.03","104.37","0.03","878.8","0.4","200","0.2","200","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Bi2 F2 N2 O10 -","- C14 H6 Bi2 F2 N2 O10 -","- C28 H12 Bi4 F4 N4 O20 -","2","1","","Jeon, Hye Rim; Lee, Dong Woo; Ok, Kang Min","Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3","Journal of Solid State Chemistry","2012","187","","83","88","10.1016/j.jssc.2011.12.044","","","0.71073","MoKα","","0.0369","0.0301","","","0.076","0.0912","","","","","","1.064","","","","has coordinates","265643","2021-06-01","07:54:51",""
"1563018","11.744","0.002","13.223","0.003","6.2279","0.0012","90","","103.44","0.03","90","","940.7","0.3","200","0.2","200","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Bi F N O6 -","- C7 H3 Bi F N O6 -","- C28 H12 Bi4 F4 N4 O24 -","4","1","","Jeon, Hye Rim; Lee, Dong Woo; Ok, Kang Min","Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3","Journal of Solid State Chemistry","2012","187","","83","88","10.1016/j.jssc.2011.12.044","","","0.71073","MoKα","","0.0284","0.0236","","","0.0584","0.0755","","","","","","1.218","","","","has coordinates","265643","2021-06-01","07:54:52",""
"1563019","9.4956","0.0016","7.899","0.0014","9.4444","0.0016","90","","117.498","0.003","90","","628.36","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba Fe2 H6 O17 P4 -","- Ba Fe2 H4 O17 P4 -","- Ba2 Fe4 H8 O34 P8 -","2","0.5","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M2III[PO3(OH)]4 (M=Fe, V) as examples","Journal of Solid State Chemistry","2012","187","","89","96","10.1016/j.jssc.2011.12.043","","","0.71073","MoKα","","0.0372","0.0369","","","0.0966","0.0973","","","","","","1.002","","","","has coordinates","265644","2021-06-01","07:59:51",""
"1563020","9.474","0.0016","7.9031","0.0013","9.4592","0.0016","90","","117.636","0.003","90","","627.45","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba H6 O17 P4 V2 -","- Ba H4 O17 P4 V2 -","- Ba2 H8 O34 P8 V4 -","2","0.5","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M2III[PO3(OH)]4 (M=Fe, V) as examples","Journal of Solid State Chemistry","2012","187","","89","96","10.1016/j.jssc.2011.12.043","","","0.71073","MoKα","","0.043","0.0422","","","0.1195","0.1201","","","","","","1.002","","","","has coordinates","265644","2021-06-01","07:59:51",""
"1563021","27.368","0.003","8.6016","0.0009","5.4046","0.0006","90","","98.025","0.002","90","","1259.8","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Li O6 P2 -","- C12 H11 Li O6 P2 -","- C48 H44 Li4 O24 P8 -","4","0.5","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0347","0.0307","","","0.1183","0.1253","","","","","","1.059","","","","has coordinates","265645","2021-06-01","08:30:21",""
"1563022","5.716","0.004","7.905","0.006","14.366","0.01","88.1","0.008","84.499","0.008","82.628","0.007","640.7","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Na O6 P2 -","- C12 H11 Na O6 P2 -","- C24 H22 Na2 O12 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.1469","0.0725","","","0.1513","0.1749","","","","","","1.014","","","","has coordinates","265645","2021-06-01","08:30:25",""
"1563023","5.879","0.005","7.778","0.007","15.134","0.013","79.077","0.012","86.606","0.011","85.822","0.012","677","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 K O6 P2 -","- C12 H11 K O6 P2 -","- C24 H22 K2 O12 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0746","0.0409","","","0.0922","0.1094","","","","","","1.002","","","","has coordinates","265645","2021-06-01","08:30:35",""
"1563024","5.872","0.002","7.68","0.003","15.242","0.005","101.822","0.003","91.516","0.004","93.709","0.004","670.8","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 O6 P2 Rb -","- C12 H11 O6 P2 Rb -","- C24 H22 O12 P4 Rb2 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0291","0.0261","","","0.0645","0.0657","","","","","","1.054","","","","has coordinates","265645","2021-06-01","08:30:47",""
"1563025","6.1734","0.0004","7.5322","0.0005","15.3998","0.001","102.219","0.0011","94.283","0.001","94.305","0.001","694.86","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cs O6 P2 -","- C12 H11 Cs O6 P2 -","- C24 H22 Cs2 O12 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0317","0.0288","","","0.0763","0.0784","","","","","","1.055","","","","has coordinates","265645","2021-06-01","08:31:01",""
"1563026","28.28","0.02","7.547","0.006","6.39","0.006","90","","101.26","0.02","90","","1337.6","1.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 Na O3 P -","- C6 H5 Na O3 P -","- C48 H40 Na8 O24 P8 -","8","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0453","0.0337","","","0.0868","0.0939","","","","","","1.035","","","","has coordinates","265645","2021-06-01","08:31:13",""
"1563027","8.369","0.003","9.522","0.005","16.5383","0.0015","78.33","0.04","83.71","0.03","72.19","0.04","1227.2","0.8","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H33 N Na2 O14 P2 -","- C14 H33 N Na2 O14 P2 -","- C28 H66 N2 Na4 O28 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0541","0.0441","","","0.1235","0.1315","","","","","","1.094","","","","has coordinates","265645","2021-06-01","08:31:25",""
"1563028","13.126","0.002","5.6233","0.001","12.499","0.002","90","","90","","90","","922.6","0.3","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","Thulium Antimony Selenide","","","- Sb2 Se11.68 Tm4 -","- Sb2 Se11.7 Tm4 -","- Sb4 Se23.4 Tm8 -","2","0.25","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Two new ternary lanthanide antimony chalcogenides: Yb4Sb2S11.25 and Tm4Sb2Se11.68 containing chalcogenide Q2− and dichalcogenide (Q2)2− anions","Journal of Solid State Chemistry","2012","187","","264","268","10.1016/j.jssc.2012.01.020","","","0.71073","MoKα","","0.0384","0.0301","","","0.0767","0.0819","","","","","","1.062","","","","has coordinates","265646","2021-06-01","08:43:45",""
"1563029","12.4455","0.0003","5.3412","0.0001","12.0579","0.0003","90","","90","","90","","801.54","0.03","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","Ytterbium Antimony Sulfide","","","- S2.81 Sb0.5 Yb -","- S2.81 Sb0.5 Yb -","- S22.48 Sb4 Yb8 -","8","1","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Two new ternary lanthanide antimony chalcogenides: Yb4Sb2S11.25 and Tm4Sb2Se11.68 containing chalcogenide Q2− and dichalcogenide (Q2)2− anions","Journal of Solid State Chemistry","2012","187","","264","268","10.1016/j.jssc.2012.01.020","","","0.71073","MoKα","","0.0259","0.018","","","0.0368","0.0398","","","","","","1.055","","","","has coordinates","265646","2021-06-01","08:43:46",""
"1563030","33.2905","0.0008","5.861","0.0001","15.8967","0.0004","90","","90.725","0.001","90","","3101.45","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In K3 Mo4 O15 -","- In K3 Mo4 O15 -","- In8 K24 Mo32 O120 -","8","1","","Khal-baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.","Phase formation in the Li2MoO4‒K2MoO4‒In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3","Journal of Solid State Chemistry","2012","187","","276","281","10.1016/j.jssc.2012.01.010","","","0.71073","MoKα","","0.0486","0.0407","","","0.112","0.1248","","","","","","1.013","","","","has coordinates","265647","2021-06-01","08:50:46",""
"1563031","7.0087","0.0002","9.2269","0.0003","10.1289","0.0003","90","","107.401","0.001","90","","625.04","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- In K2 Li Mo3 O12 -","- In K2 Li Mo3 O12 -","- In2 K4 Li2 Mo6 O24 -","2","1","","Khal-baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.","Phase formation in the Li2MoO4‒K2MoO4‒In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3","Journal of Solid State Chemistry","2012","187","","276","281","10.1016/j.jssc.2012.01.010","","","0.71073","MoKα","","0.0306","0.028","","","0.0522","0.0532","","","","","","1.033","","","","has coordinates","265647","2021-06-01","08:50:47",""
"1563032","3.7876","0.0004","3.7876","0.0004","20.7971","0.0019","90","","90","","90","","298.35","0.05","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Er2 O2 S3 U -","- Er2 O2 S3 U -","- Er4 O4 S6 U2 -","2","0.0625","","Raw, Adam D.; Ibers, James A.","Synthesis and structural characterization of the new compound UEr2O2S3 and the evidence for the old compound U2ErO2S3","Journal of Solid State Chemistry","2012","187","","282","285","10.1016/j.jssc.2011.12.040","","","0.71073","MoKα","","0.0141","0.0141","","","0.035","0.035","","","","","","1.207","","","","has coordinates","265648","2021-06-01","08:55:53",""
"1563033","3.785","0.001","3.785","0.001","20.83","0.01","90","","90","","90","","298.42","0.18","273","2","273","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Er2 O2 S3 U -","- Er2 O2 S3 U -","- Er4 O4 S6 U2 -","2","0.0625","","Raw, Adam D.; Ibers, James A.","Synthesis and structural characterization of the new compound UEr2O2S3 and the evidence for the old compound U2ErO2S3","Journal of Solid State Chemistry","2012","187","","282","285","10.1016/j.jssc.2011.12.040","","","0.71069","MoKα","","0.0367","0.0367","","","0.087","0.087","","","","","","1.312","","","","has coordinates","265648","2021-06-01","08:56:03",""