# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T19:47:45+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 = 114 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
"1000379","3.3255","0.0001","11.022","0.001","10.479","0.001","90","","90","","90","","384.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium dithallate","","- Ca O4 Tl2 -","- Ca O4 Tl2 -","- Ca4 O16 Tl8 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000380","3.3431","0.0001","11.159","0.001","13.499","0.001","90","","90","","90","","503.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium thallium oxide (1.9/2.1/5)","","- Ca1.88 O5 Tl2.12 -","- Ca1.88 O5 Tl2.12 -","- Ca7.52 O20 Tl8.48 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000381","10.6829","0.0002","10.6829","0.0002","10.6829","0.0002","90","","90","","90","","1219.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.8/0.1/2/6.1)","","- Nb2 O6.07 Tl2 -","- Nb2 O6.07 Tl2 -","- Nb16 O48.56 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000382","10.6418","0.0002","10.6418","0.0002","10.6418","0.0002","90","","90","","90","","1205.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.7/0.3/2/6.3)","","- Nb2 O6.271 Tl2 -","- Nb2 O6.271 Tl2 -","- Nb16 O50.168 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000383","10.6399","0.0002","10.6399","0.0002","10.6399","0.0002","90","","90","","90","","1204.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.6/0.4/2/6.4)","","- Nb2 O6.43 Tl2 -","- Nb2 O6.43 Tl2 -","- Nb16 O51.44 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000384","10.6397","0.0002","10.6397","0.0002","10.6397","0.0002","90","","90","","90","","1204.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.5/0.5/2/6.5)","","- Nb2 O6.49 Tl2 -","- Nb2 O6.49 Tl2 -","- Nb16 O51.92 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000385","10.637","0.0002","10.637","0.0002","10.637","0.0002","90","","90","","90","","1203.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)","","- Nb2 O6.588 Tl2 -","- Nb2 O6.588 Tl2 -","- Nb16 O52.704 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000386","10.6313","0.0002","10.6313","0.0002","10.6313","0.0002","90","","90","","90","","1201.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)","","- Nb2 O6.648 Tl2 -","- Nb2 O6.648 Tl2 -","- Nb16 O53.184 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000387","10.622","0.0002","10.622","0.0002","10.622","0.0002","90","","90","","90","","1198.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1/1/2/7)","","- Nb2 O7 Tl2 -","- Nb2 O7 Tl2 -","- Nb16 O56 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001639","3.9072","0.0001","3.9072","0.0001","17.21919","0.0006","90","","90","","90","","262.9","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","Mercury barium praseodymium copper oxide (2/2/2/2/10)","","- Ba2 Cu2 Hg1.88 O10 Pr2 -","- Ba2 Cu2 Hg1.88 O10 Pr2 -","- Ba2 Cu2 Hg1.88 O10 Pr2 -","1","0.0625","","Huve, M; Martin, C; Maignan, A; Michel, C; Van Tendeloo, G; Hervieu, M; Raveau, B","A new cuprate with mercury bilayers: the ""2222"" oxide Hg2-x Mx Ba2 Pr2 Cu2 O10-d (M=Cu,Pr)","Journal of Solid State Chemistry","1995","114","","230","235","10.1006/jssc.1995.1033","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001640","3.8751","0.0001","3.8751","0.0001","7.679","0.0002","90","","90","","90","","115.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron(III) oxide","","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","1","0.0625","","Caignaert, V; Mirebeau, I; Bouree, F; Nguyen, N; Ducouret, A; Greneche, J - M; Raveau, B","Crystal and magnetic structure of Y Ba Cu Fe O5","Journal of Solid State Chemistry","1995","114","","24","35","10.1006/jssc.1995.1004","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001641","16.989","0.003","16.989","0.003","11.866","0.003","90","","90","","120","","2966","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Nonacaesium tecto-trialumononamolybdo(V)undecaphosphate(V)","","- Al3 Cs9 Mo9 O59 P11 -","- Al3 Cs9 Mo9 O59 P11 -","- Al6 Cs18 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","An aluminophosphate of molybdenum(V) with a tunnel structure: Cs9 Mo9 Al3 P11 O59","Journal of Solid State Chemistry","1995","114","","451","458","10.1006/jssc.1995.1068","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001642","9.314","0.001","8.8679","0.0009","10.954","0.002","90","","90","","90","","904.8","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dipotassium dimolybdenum tetraoxide diphosphate - $-beta","","- K2 Mo2 O11 P2 -","- K2 Mo2 O11 P2 -","- K8 Mo8 O44 P8 -","4","0.5","","Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7","Journal of Solid State Chemistry","1995","114","","481","485","10.1006/jssc.1995.1072","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001643","16.78899","0.001","8.5","0.001","16.36099","0.001","90","","126.34","0.01","90","","1880.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trisodium tetramolybdo(V)pentaphosphate(V)","","- Mo4 Na3 O24 P5 -","- Mo4 Na3 O24 P5 -","- Mo16 Na12 O96 P20 -","4","0.5","","Leclaire, A; Hoareau, T; Borel, M M; Grandin, A; Raveau, B","A sodium Mo(V) monophosphate with a tunnel structure: Na3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","543","549","10.1006/jssc.1995.1083","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001644","9.676","0.002","14.366","0.002","28.39099","0.005","90","","90","","90","","3946.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tripotassium tetramolybdo(V)pentaphosphate(V)","","- K3 Mo4 O24 P5 -","- K3 Mo4 O24 P5 -","- K24 Mo32 O192 P40 -","8","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Mo(V) monophosphate with a tunnel structure: K3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","61","65","10.1006/jssc.1995.1009","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1511238","9.2866","","9.5333","","3.2438","","90","","90.757","","90","","287.155","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Mn2 O (B O3)","","- B Mn2 O4 -","- B Mn2 O4 -","- B4 Mn8 O16 -","4","1","","Norrestam, R.; Sjoedin, A.; Kritikos, M.","Manganese(II,III) oxyborate, Mn2 O B O3 : a distorted homometallic warwickite - synthesis, crystal structure, band calculations, and magnetic susceptibility","Journal of Solid State Chemistry","1995","114","","311","316","10.1006/jssc.1995.1049","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000075","8.709","","9.729","","9.145","","99.11","","110.7","","67.19","","667.944","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H36 N6 O20 P6 -","- C8 H36 N6 O38 P12 -","- C8 H36 N6 O38 P12 -","1","0.5","","Gharbi, A.; Jouini, A.; Durif, A.","Structural, DSC, and IR Studies on a New Organic-Cation Cyclohexaphosphate: [NH3-(CH2)2-NH2-(CH2)2-NH3]2P6O18 · 2H2O","Journal of Solid State Chemistry","1995","114","1","42","51","10.1006/jssc.1995.1006","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""