# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T17:50:21+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 = 227 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
"1561907","10.37","0.003","10.37","0.003","5.7549","0.0019","90","","90","","120","","536","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- La3 S7 Sb0.33 Si -","- La3 S7 Sb0.33 Si -","- La6 S14 Sb0.66 Si2 -","2","0.333333","","Zhao, Hua-Jun","Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)","Journal of Solid State Chemistry","2015","227","","5","9","10.1016/j.jssc.2015.03.010","","","0.71073","MoKα","","0.0274","0.0271","","","0.0757","0.0758","","","","","","1.221","","","","has coordinates","264301","2021-04-19","08:18:23",""
"1561908","10.224","0.004","10.224","0.004","5.711","0.003","90","","90","","120","","517","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Pr3 S7 Sb0.33 Si -","- Pr3 S7 Sb0.33 Si -","- Pr6 S14 Sb0.66 Si2 -","2","0.333333","","Zhao, Hua-Jun","Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)","Journal of Solid State Chemistry","2015","227","","5","9","10.1016/j.jssc.2015.03.010","","","0.71073","MoKα","","0.0211","0.0192","","","0.0435","0.0566","","","","","","1.248","","","","has coordinates","264301","2021-04-19","08:18:23",""
"1561909","9.1081","0.0007","9.1081","0.0007","2.9522","0.0002","90","","90","","90","","244.91","0.03","100","2","100","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B2 Ru5 Si0.9 Ti2.11 -","- B2 Ru5 Si0.89 Ti2.11 -","- B4 Ru10 Si1.78 Ti4.22 -","2","0.125","","Xie, Weiwei; Fuccillo, M.K.; Phelan, B.F.; Luo, H.; Cava, R.J.","Stabilization of the Ti3Co5B2-type structure for Ti3−Si Ru5B2 through Si‒Ti substitution","Journal of Solid State Chemistry","2015","227","","92","97","10.1016/j.jssc.2015.03.029","","","0.71073","MoKα","","0.0144","0.0139","","","0.0312","0.0313","","","","","","1.372","","","","has coordinates","264302","2021-04-19","08:28:41",""
"1561910","8.2162","0.0001","8.2162","0.0001","14.3022","0.0005","90","","90","","90","","965.48","0.04","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba2 Cl Na S4 Sn -","- Ba2 Cl Na S4 Sn -","- Ba8 Cl4 Na4 S16 Sn4 -","4","0.125","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0379","0.0345","","","0.0782","0.0811","","","","","","1.179","","","","has coordinates","264303","2021-04-19","08:52:27",""
"1561911","8.3552","0.0007","8.3552","0.0007","14.454","0.002","90","","90","","90","","1009.02","0.18","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba2 Cl K S4 Sn -","- Ba2.01 Cl K0.99 S4 Sn -","- Ba8.04 Cl4 K3.96 S16 Sn4 -","4","0.125","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0251","0.0236","","","0.0581","0.0594","","","","","","1.303","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561912","12.5124","0.0004","9.8275","0.0002","8.8142","0.0003","90","","90","","90","","1083.84","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 Br K S4 Sn -","- Ba1.998 Br K1.002 S4 Sn -","- Ba7.992 Br4 K4.008 S16 Sn4 -","4","0.5","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0319","0.0277","","","0.0644","0.0664","","","","","","1.07","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561913","9.946","0.002","8.7928","0.0018","12.532","0.003","90","","90.75","0.03","90","","1095.9","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl Cs S4 Sn -","- Ba2 Cl Cs S4 Sn -","- Ba8 Cl4 Cs4 S16 Sn4 -","4","1","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0473","0.0389","","","0.0845","0.0885","","","","","","1.117","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561914","19.352","0.001","19.352","0.001","14.838","0.001","90","","90","","119.87","0.02","4818.6","1.1","293","2","293","2","","","","","","","","3","P 1 1 21/b","-P 2bc","14","CsCe2Cl7","","","- Ce8 Cl28 Cs4 -","- Ce8 Cl28 Cs4 -","- Ce32 Cl112 Cs16 -","4","1","","Zhuravleva, M.; Lindsey, A.; Chakoumakos, B.C.; Custelcean, R.; Meilleur, F.; Hughes, R.W.; Kriven, W.M.; Melcher, C.L.","Crystal structure and thermal expansion of a CsCe2Cl7 scintillator","Journal of Solid State Chemistry","2015","227","","142","149","10.1016/j.jssc.2015.03.032","","","0.71073","MoKα","","0.0734","0.0662","","","0.1459","0.15","","","","","","1.094","","","","has coordinates","264304","2021-04-19","08:58:23",""
"1561915","10.7796","0.0004","10.7796","0.0004","27.5862","0.0012","90","","90","","120","","2776.05","0.19","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce Mo16 O44 -","- Ce Mo16 O44 -","- Ce3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1353","0.0612","","0.0277","0.0224","0.0224","","","","","","1.0615","","","","has coordinates","264305","2021-04-19","09:09:10",""
"1561916","10.766","0.0007","10.766","0.0007","27.396","0.002","90","","90","","120","","2750","0.3","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Dy Mo16 O44 -","- Dy Mo16 O44 -","- Dy3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1454","0.0866","","0.1225","0.0896","0.0896","","","","","","1.1118","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561917","10.7737","0.0004","10.7737","0.0004","27.4062","0.0013","90","","90","","120","","2754.92","0.19","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ho Mo16 O44 -","- Ho Mo16 O44 -","- Ho3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1006","0.0908","","0.0469","0.0442","0.0442","","","","","","1.1782","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561918","10.7683","0.0003","10.7683","0.0003","27.5217","0.0007","90","","90","","120","","2763.76","0.13","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 Nd O44 -","- Mo16 Nd O44 -","- Mo48 Nd3 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1241","0.0693","","0.048","0.0326","0.0326","","","","","","1.2344","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561919","10.7597","0.0007","10.7597","0.0007","27.517","0.002","90","","90","","120","","2758.9","0.3","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 O44 Pr -","- Mo16 O44 Pr -","- Mo48 O132 Pr3 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.2083","0.0768","","0.0397","0.016","0.016","","","","","","1.0872","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561920","10.76743","0.00019","10.76743","0.00019","27.4399","0.0006","90","","90","","120","","2755.1","0.09","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 O44 Tb -","- Mo16 O44 Tb -","- Mo48 O132 Tb3 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.0786","0.0588","","0.0613","0.0513","0.0513","","","","","","1.1749","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561921","6.4422","0.0013","9.038","0.0018","12.725","0.003","76.5","0.03","83.71","0.03","79.75","0.03","707.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Co3 N6 O20 P4 -","- C14 H28 Co3 N6 O20 P4 -","- C14 H28 Co3 N6 O20 P4 -","1","0.5","","Niu, Qing-Jun; Zheng, Yue-Qing; Zhou, Lin-Xia; Zhu, Hong-Lin","Two novel metal‒organic coordination polymers based on diphosphonate and oxalate: Synthesis, structures and properties","Journal of Solid State Chemistry","2015","227","","212","218","10.1016/j.jssc.2015.03.036","","","0.71073","MoKα","","0.0581","0.035","","","0.0818","0.137","","","","","","0.964","","","","has coordinates","264306","2021-04-19","09:17:21",""
"1561922","18.122","0.004","8.9119","0.0018","15.697","0.003","90","","92.45","0.03","90","","2532.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 Cd2 N2 O10 P2 -","- C6 H9 Cd2 N2 O10 P2 -","- C48 H72 Cd16 N16 O80 P16 -","8","1","","Niu, Qing-Jun; Zheng, Yue-Qing; Zhou, Lin-Xia; Zhu, Hong-Lin","Two novel metal‒organic coordination polymers based on diphosphonate and oxalate: Synthesis, structures and properties","Journal of Solid State Chemistry","2015","227","","212","218","10.1016/j.jssc.2015.03.036","","","0.71073","MoKα","","0.0461","0.034","","","0.0844","0.109","","","","","","0.745","","","","has coordinates","264306","2021-04-19","09:17:21",""
"1561923","6.049","0.006","6.049","0.006","6.049","0.006","90","","90","","90","","221.3","0.4","828","5","828","5","","","","","","","","3","F m -3 m","-F 4 2 3","225","germanium antimony telluride","","","- Ge0.555 Sb0.297 Te -","- Ge0.55 Sb0.3 Te -","- Ge2.2 Sb1.2 Te4 -","4","0.0208333","","Urban, Philipp; Schneider, Matthias N.; Oeckler, Oliver","Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides","Journal of Solid State Chemistry","2015","227","","223","231","10.1016/j.jssc.2015.04.007","","x-ray","0.40663","synchrotron","","0.0284","0.0238","","","0.0363","0.0389","","","","1.24","1.24","1.28","","","","has coordinates","264307","2021-04-19","09:24:15",""
"1561924","5.979","0.004","5.979","0.004","5.979","0.004","90","","90","","90","","213.7","0.2","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","germanium antimony telluride","","","- Ge0.605 Sb0.263 Te -","- Ge0.608 Sb0.264 Te -","- Ge2.432 Sb1.056 Te4 -","4","0.0208333","","Urban, Philipp; Schneider, Matthias N.; Oeckler, Oliver","Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides","Journal of Solid State Chemistry","2015","227","","223","231","10.1016/j.jssc.2015.04.007","","x-ray","0.40681","synchrotron","","0.0373","0.0365","","","0.051","0.0513","","","","1.87","1.87","1.85","","","","has coordinates","264307","2021-04-19","09:24:15",""
"1561925","6.6291","0.0002","15.0616","0.0009","15.4615","0.001","91.482","0.003","90.113","0.004","90.967","0.004","1543.01","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 O8 Tb -","- C13 H19 O8 Tb -","- C52 H76 O32 Tb4 -","4","2","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0471","0.036","","","0.0899","0.0931","","","","","","1.13","","","","has coordinates,has disorder","264308","2021-04-19","09:29:24",""
"1561926","23.9695","0.0014","6.7843","0.0005","9.2303","0.0003","90","","90","","90","","1501","0.15","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H19 O7 Tb -","- C14 H19 O7 Tb -","- C56 H76 O28 Tb4 -","4","0.5","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0591","0.0542","","","0.1359","0.1388","","","","","","1.26","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561927","12.5906","0.0005","14.9088","0.0006","21.9753","0.0006","82.214","0.002","85.027","0.002","70.73","0.002","3854.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H108 O36 Tb4 -","- C72 H108 O36 Tb4 -","- C144 H216 O72 Tb8 -","2","1","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0688","0.035","","","0.0745","0.0833","","","","","","0.937","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561928","15.283","0.0002","24.9021","0.0006","10.6168","0.0003","90","","90","","90","","4040.53","0.16","150","2","150","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C60 H88 N26 O38 Tb2 -","- C60 H88 N26 O38 Tb2 -","- C120 H176 N52 O76 Tb4 -","2","0.25","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0418","0.036","","","0.1059","0.1083","","","","","","1.072","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561929","16.9255","0.0009","11.4336","0.0004","21.2979","0.001","90","","111.818","0.003","90","","3826.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 N26 O31 Tb2 -","- C68 H90 N26 O31 Tb2 -","- C136 H180 N52 O62 Tb4 -","2","0.5","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0634","0.0344","","","0.07","0.0764","","","","","","0.963","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561930","16.079","0.003","18.774","0.003","14.286","0.002","90","","90","","90","","4312.5","1.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H32 Mn2 N4 O18 S4 -","- C24 H32 Mn2 N4 O18 S4 -","- C96 H128 Mn8 N16 O72 S16 -","4","0.5","","Han, Yinfeng; Wang, Chang-an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping","In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","227","","87","91","10.1016/j.jssc.2015.03.008","","","0.71073","MoKα","","0.0898","0.0746","","","0.1914","0.2006","","","","","","1.087","","","","has coordinates","264309","2021-04-19","09:35:26",""
"1561931","20.624","0.003","4.6502","0.0006","18.568","0.002","90","","116.223","0.002","90","","1597.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 Ni O8 S2 -","- C12 H14 N2 Ni O8 S2 -","- C48 H56 N8 Ni4 O32 S8 -","4","0.5","","Han, Yinfeng; Wang, Chang-an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping","In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","227","","87","91","10.1016/j.jssc.2015.03.008","","","0.71073","MoKα","","0.0626","0.0584","","","0.1562","0.1589","","","","","","1.108","","","","has coordinates","264309","2021-04-19","09:35:30",""