# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T21:46:06+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 = 89 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
"1000129","13.7168","0.0003","5.6054","0.0002","4.9329","0.0001","90","","90","","90","","379.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Barium catena-pentafluoroaluminate - α","","- Al Ba F5 -","- Al Ba F5 -","- Al4 Ba4 F20 -","4","1","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000130","5.1517","0.0001","19.56659","0.0004","7.5567","0.0002","90","","92.426","0.001","90","","761","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Barium catena-pentafluoroaluminate - β","","- Al Ba F5 -","- Al Ba F5 -","- Al8 Ba8 F40 -","8","2","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000131","5.2584","0.0001","9.7298","0.0002","7.3701","0.0002","90","","90.875","0.001","90","","377","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Barium catena-pentafluoroaluminate - γ","","- Al Ba F5 -","- Al Ba F5 -","- Al4 Ba4 F20 -","4","2","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1001445","6.352","0.003","7.448","0.005","10.991","0.006","75.08","0.05","85.33","0.04","79.1","0.04","493.1","","","","","","","","","","","","","4","P -1","-P 1","2","","Sodium dimolybdo(V)triphosphate - $-epsilon","","- Mo2 Na O13 P3 -","- Mo2 Na O13 P3 -","- Mo4 Na2 O26 P6 -","2","1","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","$-epsilon-NaMo~2~P~3~O~13~, a new structural form of the Mo(V) phosphates series AMo~2~^V^P~3~O~13~","Journal of Solid State Chemistry","1990","89","","10","15","10.1016/0022-4596(90)90288-9","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001446","6.3682","0.0005","22.2546","0.0011","8.6172","0.0008","90","","126.139","0.007","90","","986.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium dimolybdo(V)triphosphate - ζ","","- Mo2 Na O13 P3 -","- Mo2 Na O13 P3 -","- Mo8 Na4 O52 P12 -","4","1","","Costentin, G.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.","ζ-NaMo~2~P~3~O~13~, a second form of pentavalent molybdenum sodium phosphate","Journal of Solid State Chemistry","1990","89","","31","38","10.1016/0022-4596(90)90291-5","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","189459","2020-10-21","18:00:00",""
"1001447","8.4992","0.0007","15.339","0.0008","10.5913","0.0009","90","","90","","90","","1380.8","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Tetrasodium niobium phosphate (4/8/6)","","- Na4 Nb8 O35 P6 -","- Na4 Nb8 O35 P6 -","- Na8 Nb16 O70 P12 -","2","0.25","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A niobium phosphate bronze closely related to the tungsten phosphate bronzes family: Na~4~Nb~8~P~6~O~35~","Journal of Solid State Chemistry","1990","89","","75","82","10.1016/0022-4596(90)90295-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001448","6.4394","0.0004","12.378","0.001","9.1613","0.0007","90","","123.92","0.01","90","","605.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium dimolybdo(V)tetraphosphate","","- Ba Mo2 O16 P4 -","- Ba Mo2 O16 P4 -","- Ba2 Mo4 O32 P8 -","2","0.5","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A molybdenum V diphosphate, BaMo~2~P~4~O~16~","Journal of Solid State Chemistry","1990","89","","83","87","10.1016/0022-4596(90)90296-A","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509507","4.1247","","4.1247","","6.692","","90","","90","","120","","98.599","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ag Zn Sm P2","","- Ag P2 Sm Zn -","- Ag P2 Sm Zn -","- Ag P2 Sm Zn -","1","0.0833333","","Tejedor, P.; Stacy, A.M.","Structure and properties of a new family of ceramic phosphides: Ag Zn La P2, Ag Zn Sm P2, and Cu Zn Sm P2","Journal of Solid State Chemistry","1990","89","","227","236","10.1016/0022-4596(90)90265-Y","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509688","5.8517","","3.4674","","5.4838","","90","","107.663","","90","","106.022","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 O2 -","- Ag2 O2 -","- Ag4 O4 -","2","0.5","","Ramakrishna, B.L.; Brese, N.E.; O'Keeffe, M.; von Dreele, R.B.","Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO","Journal of Solid State Chemistry","1990","89","","184","190","10.1016/0022-4596(90)90310-T","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509700","5.796","","12.667","","10.2238","","90","","90","","90","","750.61","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Ag2 (S O4)","","- Ag2 O4 S -","- Ag2 O4 S -","- Ag16 O32 S8 -","8","0.25","","von Dreele, R.B.; Brese, N.E.; Ramakrishna, B.L.; O'Keeffe, M.","Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO","Journal of Solid State Chemistry","1990","89","","184","190","10.1016/0022-4596(90)90310-T","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1538595","19.791","","3.5673","","5.6242","","90","","90","","90","","397.071","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir S2 -","- Ir S2 -","- Ir8 S16 -","8","1","","Jobic, S.; Drew, M.G.B.; Deniard, P.; Rouxel, J.; Brec, R.; David, W.I.F.","Properties of the transition metal dichalcogenides: The case of Ir S2 and Ir Se2","Journal of Solid State Chemistry","1990","89","","315","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540293","15.571","","3.842","","27.583","","90","","95.44","","90","","1642.69","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- In10 S21 Sn6 -","- In10 S21 Sn6 -","- In20 S42 Sn12 -","2","0.5","","Likforman, A.; Guittard, M.; Robert, F.","Structure du sulfure d'etain et d'indium In10 Sn6 S21","Journal of Solid State Chemistry","1990","89","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9016105","4.6833","","3.4208","","5.1294","","90","","99.567","","90","","81.033","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B.","Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K","Journal of Solid State Chemistry","1990","89","","184","190","10.1016/0022-4596(90)90310-T","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""