# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-08T20:17:28+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 Physics C') AND volume = 19 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
"1000125","5.0424","0.0001","5.0424","0.0001","6.1564","0.0001","90","","90","","90","","156.5","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - II","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000126","5.0431","0.0001","5.0431","0.0001","6.1567","0.0001","90","","90","","90","","156.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - II","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.0311","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000127","5.0432","0.0001","5.0432","0.0001","6.1573","0.0001","90","","90","","90","","156.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - I","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.0458","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000404","7.472","0.001","10.928","0.001","6.606","0.002","90","","90","","90","","539.4","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0568","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000405","7.469","0.001","10.927","0.001","6.602","0.002","90","","90","","90","","538.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0651","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000406","7.47","0.001","10.93","0.001","6.603","0.001","90","","90","","90","","539.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0417","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008374","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.25","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008375","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008376","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008377","6.7192","0.0001","6.7192","0.0001","5.6188","0.0001","90","","90","","120","","219.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba2 S6 V2 -","2","0.0833333","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1525425","5.766","","5.766","","5.766","","90","","90","","90","","191.701","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce S -","- Ce S -","- Ce4 S4 -","4","0.0208333","","Vedel, I.; Rossat-Mignod, J.; Leger, J.M.; Redon, A.M.; Vogt, O.","The continuous valence transition in Cs under pressure","Journal of Physics C","1986","19","","6297","6302","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530487","5.076","","5.076","","14.032","","90","","90","","120","","313.107","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Fe0.6 Co0.4) (Ti O3)","","- Co0.4 Fe0.6 O3 Ti -","- Co0.4 Fe0.6 O3 Ti -","- Co2.4 Fe3.6 O18 Ti6 -","6","0.333333","","Newsam, J.M.; Takei, H.; Endoh, Y.; Ishikawa, Y.","Powder neutron diffraction studies of the mixed ilmenite system Fe0.6 Co0.4 Ti O3","Journal of Physics C","1986","19","","1273","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539544","5.907","","5.907","","5.907","","90","","90","","90","","206.111","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tm0.92 Yb1.08 Se2","","- Se2 Tm0.92 Yb1.08 -","- Se2 Tm0.92 Yb1.08 -","- Se4 Tm1.84 Yb2.16 -","2","0.0104167","","Syassen, K.; Winzen, H.; Oki, K.; Leger, J.M.; Suryanarayanan, R.; Bach, H.","Effect of pressure on the valence states of Yb and Tm in Yb1-x Tmx Sb","Journal of Physics C","1986","19","","3753","3763","","","","","","","","","","","","","","","","","","","","","","has coordinates","168487","2020-10-21","18:00:00",""