# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-31T20:05:53+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 = 39 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
"1001097","6.862","0.001","6.862","0.001","5.871","0.001","90","","90","","90","","276.4","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Lanthanum barium copper oxide (3.6/2.4/1.8/9.6)","","- Ba2.4 Cu1.8 La3.6 O9.6 -","- Ba2.4 Cu1.8 La3.6 O9.6 -","- Ba2.4 Cu1.8 La3.6 O9.6 -","1","0.0625","","Michel, C; Er-Rakho, L; Raveau, B","Les oxydes La~4-2x~ Ba~2+2x~ Cu~2-x~ O~10-2x~: Une structure inedite constituee de groupements Cu O~4~ carres plans isoles","Journal of Solid State Chemistry","1981","39","","161","167","10.1016/0022-4596(81)90326-1","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001204","18.804","","18.804","","12.941","","90","","90","","90","","4575.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lathanum strontium copper oxide (0.8/1.2/1/3.4)","","- Cu La0.74 O4 Sr1.2 -","- Cu La0.736 O4 Sr1.2 -","- Cu50 La36.8 O200 Sr60 -","50","1.5625","","Nguyen, N; Choisnet, J; Hervieu, M; Raveau, B","Oxygen Defect K~2~NiF~4~-Type Oxides: The Compounds La~2-x~Sr~x~CuO~4- x/2+d~","Journal of Solid State Chemistry","1981","39","","120","127","10.1016/0022-4596(81)90310-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008063","3.777","0.003","3.777","","6.498","0.006","90","","90","","120","","80.3","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium telluride","","- Te2 Ti -","- Te2 Ti -","- Te2 Ti -","1","0.0833333","","Arnaud, Y; Chevreton, M","Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te","Journal of Solid State Chemistry","1981","39","","230","239","10.1016/0022-4596(81)90336-4","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008064","3.651","0.003","3.651","","6.317","0.006","90","","90","","120","","72.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Titanium selenide telluride","","- Se Te Ti -","- Se Te Ti -","- Se Te Ti -","1","0.0833333","","Arnaud, Y; Chevreton, M","Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te","Journal of Solid State Chemistry","1981","39","","230","239","10.1016/0022-4596(81)90336-4","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1510774","6.618","","8.81","","12.113","","90","","122.27","","90","","597.158","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na3 Nd (B O3)2","","- B2 Na3 Nd O6 -","- B2 Na3 Nd O6 -","- B8 Na12 Nd4 O24 -","4","1","","Classe, M.; Mascetti, J.; Fouassier, C.","The crystal chemistry of the new rare-earth sodium borates Na3 Ln (B O2)3 (Ln = La, Nd)","Journal of Solid State Chemistry","1981","39","","288","293","10.1016/0022-4596(81)90262-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1527079","17.619","","4.8995","","8.917","","90","","124.08","","90","","637.553","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca3 Cu3 (P O4)4","","- Ca3 Cu3 O16 P4 -","- Ca3 Cu3 O16 P4 -","- Ca6 Cu6 O32 P8 -","2","0.5","","Anderson, J.B.; Kostiner, E.; Ruszala, F.A.","The crystal structure of Ca3 Cu3 (P O4)4","Journal of Solid State Chemistry","1981","39","","29","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527219","5.744","","5.744","","9.642","","90","","90","","120","","275.503","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Rh O3","","- Ba O3 Rh -","- Ba O3 Rh -","- Ba4 O12 Rh4 -","4","0.166667","","Chamberland, B.L.; Anderson, J.B.","The preparation and crystal structure of a Ba Rh O3 polytype","Journal of Solid State Chemistry","1981","39","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527258","11.9286","","6.9705","","6.1638","","90","","90","","90","","512.51","","","","","","","","","","","","","3","P c a n","-P 2n 2c","60","","Rb (Cu Cl3)","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl12 Cu4 Rb4 -","4","0.5","","Crama, W.J.","The cooperative Jahn-Teller distorted structure of Rb Cu Cl3","Journal of Solid State Chemistry","1981","39","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527259","11.932","","6.844","","12.244","","90","","91.93","","90","","999.31","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Rb Cu Cl3","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl24 Cu8 Rb8 -","8","2","","Crama, W.J.","The cooperative Jahn-Teller distorted structure of Rb Cu Cl3","Journal of Solid State Chemistry","1981","39","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527312","9.1863","","9.1863","","22.181","","90","","90","","120","","1621.04","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na4 Zr2 Si3 O12","","- Na4 O12 Si3 Zr2 -","- Na4 O12 Si3 Zr2 -","- Na24 O72 Si18 Zr12 -","6","0.166667","","Duc Tran Qui; Capponi, J.J.; Shannon, R.D.; Joubert, J.C.","Crystal structure and ionic conductivity in Na4 Zr2 Si3 O12","Journal of Solid State Chemistry","1981","39","","219","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","148814","2020-10-21","18:00:00",""
"1527402","6.392","","3.793","","14.877","","90","","90","","90","","360.691","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","K Ti3 Ta O9","","- K O9 Ta Ti3 -","- K O9 Ta Ti3 -","- K2 O18 Ta2 Ti6 -","2","0.25","","Gatehouse, B.M.; Nesbit, M.C.","Preparation and structure refinement of K Ti3 Ta O9 and K3 Ti Ta7 O21","Journal of Solid State Chemistry","1981","39","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527403","9.095","","9.095","","12.063","","90","","90","","120","","864.154","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","K3 Ti Ta7 O21","","- K3 O21 Ta7 Ti -","- K3 O21 Ta6.9998 Ti1.0002 -","- K6 O42 Ta13.9996 Ti2.0004 -","2","0.0833333","","Gatehouse, B.M.; Nesbit, M.C.","Preparation and structure refinement of K Ti3 Ta O9 and K3 Ti Ta7 O21","Journal of Solid State Chemistry","1981","39","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527916","3.9097","","3.9097","","15.2873","","90","","90","","90","","233.678","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Pb4 Fe3 O8 Cl","","- Cl Fe3 O8 Pb4 -","- Cl Fe3 O8 Pb4 -","- Cl Fe3 O8 Pb4 -","1","0.0625","","Pannetier, J.; Batail, P.","Pb4 Fe3 O8 Cl: Synthesis, crystal structure, and the thermal expansion","Journal of Solid State Chemistry","1981","39","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528199","11.75","","6.79","","19.21","","90","","90","","90","","1532.62","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Cu As Se","","- As Cu Se -","- As Cu Se -","- As24 Cu24 Se24 -","24","3","","Whitfield, H.J.","The crystal structure of hcc-Cu As Se","Journal of Solid State Chemistry","1981","39","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537417","5.532","","10.98","","9.183","","90","","94.67","","90","","555.936","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba Mn Fe F7","","- Ba F7 Fe Mn -","- Ba F7 Fe Mn -","- Ba4 F28 Fe4 Mn4 -","4","1","","Holler, H.; Samouel, M.; Babel, D.; de Kozak, A.","The Crystal Structure of Barium Manganese(II) Iron(III) Fluoride Ba Mn Fe F7","Journal of Solid State Chemistry","1981","39","","345","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537546","9.412","","3.643","","6.767","","90","","112","","90","","215.131","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Mn.47 V.94 Mo1.06 O6","","- Mn0.47 Mo1.06 O6 V0.94 -","- Mn0.47 Mo1.06 O6 V0.94 -","- Mn0.94 Mo2.12 O12 V1.88 -","2","0.5","","Kozlowski, R.; Stadnicka, K.","Defect Structures in the Brannerite-Type Vanadates. IV. The Crystal Structure of Mn1-x ()x V2-2x Mo2x O6, x =.53","Journal of Solid State Chemistry","1981","39","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","165771","2020-10-21","18:00:00",""
"1538267","6.5014","","6.5014","","6.5014","","90","","90","","90","","274.802","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Sb -","- La Sb -","- La4 Sb4 -","4","0.0208333","","Holbourn, P.E.; Woodhams, F.W.D.","A 121Sb Moessbauer investigation of the rare earth antimonides","Journal of Solid State Chemistry","1981","39","","186","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538489","4.072","","4.072","","4.072","","90","","90","","90","","67.519","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Yb.5 Zr.5 F3.92","","- F3.92 Yb0.5 Zr0.5 -","- F3.9204 Yb0.498 Zr0.498 -","- F3.9204 Yb0.498 Zr0.498 -","1","0.0208333","","Poulain, M.; Tofield, B.C.","The Structure of Cubic Yb Zr F7","Journal of Solid State Chemistry","1981","39","","314","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","167078","2020-10-21","18:00:00",""
"1538490","4.067","","4.067","","4.067","","90","","90","","90","","67.27","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Yb0.498 Zr0.498) F3.456","","- F3.456 Yb0.498 Zr0.498 -","- F3.456 Yb0.498 Zr0.498 -","- F3.456 Yb0.498 Zr0.498 -","1","0.0208333","","Poulain, M.; Tofield, B.C.","The structure of cubic Yb Zr F7","Journal of Solid State Chemistry","1981","39","","314","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","167079","2020-10-21","18:00:00",""