# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T23:36:06+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 Physics C') 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
"1000043","5.462","0.03","5.462","0.03","5.462","0.03","90","","90","","90","","163","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium difluoride","Fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","","Cheetham, A K; Fender, B E F; Cooper, M J","Defect structure of calcium fluoride containing excess anions: I. Bragg scattering","Journal of Physics C","1971","4","","3107","3121","10.1088/0022-3719/4/18/016","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"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",""
"1000221","3.6587","","3.6587","","6.4378","","90","","90","","90","","86.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium tetrafluoride - phase I","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000222","3.6492","","3.6492","","6.4137","","90","","90","","90","","85.4","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium tetrafluoride - phase I","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0272","","","","","","","","","","","","","","","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",""
"1000407","5.1418","0.0001","5.1418","0.0001","12.807","0.0002","90","","90","","90","","338.6","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Thallium tetrafluoroaluminate - II","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0298","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000408","5.1376","0.0002","5.1301","0.0001","12.7822","0.0003","90","","90.119","0.002","90","","336.9","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000409","5.1138","0.0002","5.0912","0.0002","12.6878","0.0006","90","","90.289","0.007","90","","330.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0454","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000410","5.101","0.0003","5.0745","0.0003","12.6324","0.0007","90","","90.355","0.008","90","","327","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0463","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000453","3.6586","0.0001","3.6586","0.0001","6.3061","0.0001","90","","90","","90","","84.4","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al F4 Rb -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0166","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000454","5.1375","0.0001","5.1375","0.0001","6.2912","0.0001","90","","90","","90","","166","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0304","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000455","5.1227","0.0001","5.1227","0.0001","6.2815","0.0002","90","","90","","90","","164.8","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0394","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000456","7.2285","0.0002","7.2252","0.0002","6.2624","0.0001","90","","90","","90","","327.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0425","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000457","7.2124","0.0002","7.2073","0.0002","6.2396","0.0001","90","","90","","90","","324.3","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0398","","","","","","","","","","","","","","","has coordinates","176729","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",""
"1009037","10.009","0.001","3.4805","0.0006","15.629","0.002","90","","109.47","0.01","90","","513.3","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009061","9.984","0.002","3.4831","0.0008","15.591","0.003","90","","109.47","0.02","90","","511.2","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium(VI) selenide","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509178","5.5871","","5.5871","","22.5131","","90","","90","","120","","608.61","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al11 O17 -","- Ag0.9999 Al11 O16.9999 -","- Ag1.9998 Al22 O33.9998 -","2","0.0833333","","Tofield, B.C.; Newsam, J.M.","A powder neutron diffraction study of stoichiometric silver beta alumina at 4.2 K","Journal of Physics C","1981","14","","1545","1554","10.1088/0022-3719/14/11/016","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509384","5.106","","5.106","","5.106","","90","","90","","90","","133.12","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ag I -","- Ag1.0002 I -","- Ag2.0004 I2 -","2","0.0208333","","Wright, A.F.; Fender, B.E.F.","The structure of superionic compounds by powder neutron diffraction I. Cation distribution in alpha - Ag I","Journal of Physics C","1977","10","","2261","2267","10.1088/0022-3719/10/13/003","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511652","11.955","","11.955","","11.955","","90","","90","","90","","1708.63","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cu3 (B7 O13 Br)","","- B7 Br Cu3 O13 -","- B7 Br Cu3 O13 -","- B56 Br8 Cu24 O104 -","8","0.0833333","","Nelmes, R.J.; Hay, W.J.","Structural studies of boracites- VI. The cubic phase of cobalt iodine boracite, Co3 B7 O13 I, and of copper bromine boracite Cu3 B7 O13 Br","Journal of Physics C","1981","14","","5247","5257","10.1088/0022-3719/14/34/007","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511656","12.491","","12.491","","12.491","","90","","90","","90","","1948.91","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cd3 B7 O13 S2","","- B7 Cd2.988 O12.765 S1.88 -","- B7 Cd2.988 O12.765 S1.88 -","- B56 Cd23.904 O102.12 S15.04 -","8","0.0833333","","Nelmes, R.J.; Gould, S.E.B.; Gould, R.O.","Structural studies of boracites. VII. Cadmium sulphur boracite at room temperature","Journal of Physics C","1981","14","","5259","5267","10.1088/0022-3719/14/34/008","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511657","12.132","","12.132","","12.132","","90","","90","","90","","1785.65","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cr3 (B7 O13 Cl)","","- B7 Cl Cr3 O13 -","- B7 Cl Cr3 O13 -","- B56 Cl8 Cr24 O104 -","8","0.0833333","","Nelmes, R.J.; Thornley, F.R.","Structural studies of boracites. The cubic phase of chromium chlorine boracite, Cr3 B7 O13 Cl","Journal of Physics C","1974","7","","3855","3874","10.1088/0022-3719/7/21/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511678","12.044","","12.044","","12.044","","90","","90","","90","","1747.08","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13 I)","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Thornley, F.R.; Nelmes, R.J.","Structural studies of boracites: III. The cubic phase of nickel iodine boracite, Ni3 B7 O13 I, at room temperature","Journal of Physics C","1976","9","","665","680","10.1088/0022-3719/9/5/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1523957","5.071","","5.071","","4.12","","90","","90","","120","","91.752","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.8 Ga0.2)5 Yb","","- Cu4 Ga Yb -","- Cu4 Ga Yb -","- Cu4 Ga Yb -","1","0.0416667","","Adroja, D.T.; Malik, S.K.; Padalia, B.D.; Vijayaraghavan, R.","The valence state of Yb in Yb X Cu4 (X= Al, Ag, Ga) compounds","Journal of Physics C","1987","20","","307","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","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",""
"1529635","8.32","","8.32","","8.32","","90","","90","","90","","575.93","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Fe Mn Ga O4","","- Fe Ga Mn O4 -","- Fe Ga Mn O4 -","- Fe8 Ga8 Mn8 O32 -","8","0.0416667","","Bhalero, P.D.","X-ray study of the structure and ionic configuration of Fe Mn Ga O4","Journal of Physics C","1978","11","","1985","1988","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529638","3.908","","3.908","","6.279","","90","","90","","120","","83.048","","","","","","","","","","","","","3","P 3","P 3","143","","Li1.8 Fe1.17 S2","","- Fe1.17 Li1.8 S2 -","- Fe1.1725 Li1.8 S2 -","- Fe4.69 Li7.2 S8 -","4","1.33333","","Blandeau, L.; Ouvrard, G.; Rouxel, J.; Brec, R.; Calage, Y.","Transition-metal dichalcogenides from disintercalation processes. Crystal structure determination and Moessbauer study of Li2 Fe S2 and its disintercalates Lix Fe S2 (0.2< x< 2)","Journal of Physics C","1987","20","","4271","4281","","","","","","","","","","","","","","","","","","","","","","has coordinates","154118","2020-10-21","18:00:00",""
"1529663","12.4368","","12.4368","","6.6653","","90","","90","","120","","892.828","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na2 (U Br6)","","- Br6 Na2 U -","- Br6 Na2 U -","- Br18 Na6 U3 -","3","0.25","","Bogacz, A.; Bros, J.P.; Hewat, A.W.; Gaune-Escard, M.; Taylor, J.C.","New fast-ion conductors from uranium halides - the U Cl6 / Na2 U Br6 structures","Journal of Physics C","1980","13","","5273","5278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529708","3.922","","3.922","","13.97","","90","","90","","90","","214.888","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","La I2","","- I2 La -","- I2 La -","- I4 La2 -","2","0.0625","","Burrow, J.H.; Maule, C.H.; Strange, P.; Wilson, J.A.; Tothill, J.N.","The electronic conditions in the 5d layer-metal La I2, making comparison with the iso-electronic tantalum dichalcogenides, with the other RE di-iodides, and with the RE monochalcogenides","Journal of Physics C","1987","20","","4115","4133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529753","9.708","","9.708","","10.058","","90","","90","","120","","820.922","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Mn (Ti F6) (H2 O)6","","- F6 H12 Mn O6 Ti -","- F6 H12 Mn O6 Ti -","- F18 H36 Mn3 O18 Ti3 -","3","0.166667","","Chattopadhyay, T.K.; Devreux, F.; Peters, K.; Peters, E.M.; Gmelin, E.; Ghosh, B.","Crystal structure and phase transitions in Mn Ti F6 6(H2 0) and Zn Ti F6 6(H2 O)","Journal of Physics C","1988","21","","1321","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529754","9.584","","9.584","","9.932","","90","","90","","120","","790.062","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Zn (Ti F6) (H2 O)6","","- F6 H12 O6 Ti Zn -","- F6 H12 O6 Ti Zn -","- F18 H36 O18 Ti3 Zn3 -","3","0.166667","","Chattopadhyay, T.K.; Devreux, F.; Peters, K.; Ghosh, B.; Gmelin, E.; Peters, E M.","Crystal structure and phase transitions in Mn Ti F6 6(H2O) and Zn Ti F6 6(H2 O)","Journal of Physics C","1988","21","","1321","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529795","3.7748","","3.7748","","13.2213","","90","","90","","90","","188.392","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La1.85 Sr.15 Cu O3.6","","- Cu La1.85 O3.6 Sr0.15 -","- Cu La1.85 O3.6 Sr0.15 -","- Cu2 La3.7 O7.2 Sr0.3 -","2","0.0625","","Day, P.; Rosseinsky, M.J.; Prassides, K.; Soper, A.; Moze, O.; David, W.I.F.","Temperature dependence of the crystal structure of the ceramic superconductor La1.85 Sr.15 Cu O4: a powder neutron diffraction study","Journal of Physics C","1987","20","","429","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529841","5.265","","5.265","","5.265","","90.09","","90.09","","90.09","","145.946","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","(C (N H2)3) (B F4)","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C H6 B F4 N3 -","1","0.166667","","de Kozak, A.; Grottel, M.; Pajak, Z.; Koziol, A.E.","An X-ray and NMR cross-relaxation study of structure and ion motions in C (N H2)3 B F4","Journal of Physics C","1987","20","","5433","5447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530077","7.982","","7.982","","7.889","","90","","90","","90","","502.627","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cs D2 As O4","","- As Cs D2 O4 -","- As Cs D2 O4 -","- As4 Cs4 D8 O16 -","4","0.25","","Hay, W.J.; Nelmes, R.J.","Structural studies of deuterated Cs H2 As O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1981","14","","1043","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530078","11.516","","11.103","","7.87","","90","","90","","90","","1006.28","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cs D2 (As O4)","","- As Cs D2 O4 -","- As Cs D2 O4 -","- As8 Cs8 D16 O32 -","8","0.5","","Hay, W.J.; Nelmes, R.J.","Structural studies of deuterated Cs H2 As O 4 in its paraelectric and ferroelectric phases","Journal of Physics C","1981","14","","1043","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530110","5.605","","5.605","","5.605","","90","","90","","90","","176.087","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Pb Cl3","","- Cl3 Cs Pb -","- Cl3 Cs Pb -","- Cl3 Cs Pb -","1","0.0208333","","Hutton, J.; Meyer, G.M.; Nelmes, R.J.; Eiriksson, V.R.","High-resolution studies of cubic Perovskites by elastic neutron diffraction - Cs Pb Cl3","Journal of Physics C","1979","12","","5393","5410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530111","5.605","","5.605","","5.605","","90","","90","","90","","176.087","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Pb Cl3","","- Cl3 Cs Pb -","- Cl3 Cs Pb -","- Cl3 Cs Pb -","1","0.0208333","","Hutton, J.; Nelmes, R.J.","High-resolution studies of cubic Perovskites by elastic neutron diffraction II - Sr Ti O3, K Mn F3, Rb Ca F3 and Cs Pb Cl3","Journal of Physics C","1981","14","","1713","1736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530112","4.445","","4.445","","4.445","","90","","90","","90","","87.824","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rb Ca F3","","- Ca F3 Rb -","- Ca F3 Rb -","- Ca F3 Rb -","1","0.0208333","","Hutton, J.; Nelmes, R.J.","High-resolution studies of cubic Perovskites by elastic neutron diffraction II - Sr Ti O3, K Mn F3, Rb Ca F3 and Cs Pb Cl3","Journal of Physics C","1981","14","","1713","1736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530147","7.607","","7.607","","7.299","","90","","90","","90","","422.367","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","0.25","","Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1980","13","","4841","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530148","10.8","","10.672","","7.242","","90","","90","","90","","834.696","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H16 O32 P8 Rb8 -","8","0.5","","Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1980","13","","4841","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530376","3.825","","3.885","","11.626","","90","","90","","90","","172.764","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.8 La0.2 Y0.94 Cu3 O7.05","","- Ba1.8 Cu3 La0.2 O7.05 Y0.94 -","- Ba1.776 Cu3 La0.224 O7.048 Y0.936 -","- Ba1.776 Cu3 La0.224 O7.048 Y0.936 -","1","0.125","","Mazumder, S.; Rajagopal, H.; Sequeira, A.; Venkatramani, R.; Garg, S.P.; Vijayaraghavan, R.; Rajarajan, A.K.; Gupta, L.C.","A study of structural and electrical properties of Y Ba2-x Lax Cu3 O7+d","Journal of Physics C","1988","21","","5967","5976","","","","","","","","","","","","","","","","","","","","","","has coordinates","155461","2020-10-21","18:00:00",""
"1530377","3.859","","3.859","","11.572","","90","","90","","90","","172.329","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ba1.5 La0.5 Y0.92 Cu3 O7.22","","- Ba1.5 Cu3 La0.5 O7.22 Y0.92 -","- Ba1.48 Cu3 La0.52 O7.224 Y0.92 -","- Ba1.48 Cu3 La0.52 O7.224 Y0.92 -","1","0.0625","","Mazumder, S.; Rajagopal, H.; Sequeira, A.; Garg, S.P.; Venkatramani, R.; Gupta, L.C.; Rajarajan, A.K.; Vijayaraghavan, R.","A study of structural and electrical properties of Y Ba2-x Lax Cu3 O7+d","Journal of Physics C","1988","21","","5967","5976","","","","","","","","","","","","","","","","","","","","","","has coordinates","155462","2020-10-21","18:00:00",""
"1530416","7.34","","7.34","","6.975","","90","","90","","90","","375.782","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 P O4)","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Meyer, G.M.; Vettier, C.; Nelmes, R.J.","A single-crystal neutron-diffraction study of the crystal structure of tetragonal K H2 P O4 at high pressure (14 kbar)","Journal of Physics C","1980","13","","4035","4051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530470","4.334","","14.024","","10.013","","90","","90","","90","","608.59","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","U I3","","- I3 U -","- I3 U -","- I12 U4 -","4","0.25","","Murasik, A.; Fischer, P.; Szczepaniak, W.","Neutron diffraction study of long-range antiferromagnetic order and crystal structure of uranium (III) tri-iodide","Journal of Physics C","1981","14","","1847","1854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","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",""
"1530494","7.07","","7.07","","7.07","","90","","90","","90","","353.393","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 (S O4)","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","0.0208333","","Nilsson, L.; Thomas, J.O.; Tofield, B.C.","The structure of the high temperature solid electrolyte lithium sulphate at 908 K","Journal of Physics C","1980","13","","6441","6451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530642","4.637","","6.537","","5.731","","90","","96.65","","90","","172.55","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Pb (H P O4)","","- H O4 P Pb -","- H O4 P Pb -","- H2 O8 P2 Pb2 -","2","0.5","","Restori, R.; Tun, Z.; McIntyre, G.J.; Nelmes, R.J.","On the pressure dependence of the crystal structure of Pb H P O4","Journal of Physics C","1987","20","","591","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530706","29.194","","8.083","","16.816","","90","","95.47","","90","","3950.09","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Mo9 O26 -","- Mo9 O26 -","- Mo72 O208 -","8","1","","Sato, M.; Onoda, M.; Matsuda, Y.","Structural transitions in Mon O3n-1 (n=9 and 10)","Journal of Physics C","1987","20","","4763","4771","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530707","17.437","","8.029","","16.787","","90","","111.7","","90","","2183.66","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","(Mo8.8 W1.2) O29","","- Mo8.8 O29 W1.2 -","- Mo8.8 O29 W1.2 -","- Mo35.2 O116 W4.8 -","4","1","","Sato, M.; Onoda, M.; Matsuda, Y.","Structural transitions in Mon O3n-1 (n=9 and 10)","Journal of Physics C","1987","20","","4763","4771","","","","","","","","","","","","","","","","","","","","","","has coordinates","155904","2020-10-21","18:00:00",""
"1530871","4.8082","","4.8082","","7.612","","90","","90","","90","","175.98","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Thomas, P.A.","The crystal structure and absolute optical chirality of paratellurite, alpha-Te O2","Journal of Physics C","1988","21","","4611","4627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530876","7.469","","7.469","","6.976","","90","","90","","90","","389.163","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (D2 P O4)","","- D2 K O4 P -","- D2 K O4 P -","- D8 K4 O16 P4 -","4","0.25","","Tibballs, J.E.; Nelmes, R.J.; McIntyre, G.J.","The crystal structure of tetragonal K H2 P O4 and K D2 P O4 as a function of temperature and pressure","Journal of Physics C","1982","15","","37","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531431","3.996","","3.996","","4.063","","90","","90","","90","","64.878","","","","","","","","","","","","","3","P 4 m m","P 4 -2","99","","K (Nb O3)","","- K Nb O3 -","- K Nb O3 -","- K Nb O3 -","1","0.125","","Hewat, A.W.","Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in perovskite potassium niobate. Nneutron powder profile refinement of the structures","Journal of Physics C","1973","6","","2559","2572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534843","5.648","","5.648","","5.648","","90","","90","","90","","180.171","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0104167","","Battle, P.D.; Catlow, C.R.A.; Drennan, J.; Murray, A.D.","The structural properties of the oxygen conducting delta phase of Bi2 O3","Journal of Physics C","1983","16","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534847","5.478","","5.478","","5.478","","90","","90","","90","","164.386","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Bi2 O3)0.73 (Y2 O3)0.27","","- Bi1.46 O3 Y0.54 -","- Bi1.4604 O3.0012 Y0.54 -","- Bi2.9208 O6.0024 Y1.08 -","2","0.0104167","","Battle, P.D.; Catlow, C.R.A.; Drennan, J.; Murray, A.D.","The structural properties of the oxygen conducting delta phase of Bi2 O3","Journal of Physics C","1983","16","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","161886","2020-10-21","18:00:00",""
"1536620","7.135","","7.135","","6.288","","90","","90","","90","","320.111","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dy (V O4)","","- Dy O4 V -","- Dy O4 V -","- Dy4 O16 V4 -","4","0.125","","Will, G.; Schaefer, W.","The magnetic structure of antiferromagnetic Dy V O4","Journal of Physics C","1971","4","","811","819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538874","5.773","","3.763","","6.119","","90","","90","","90","","132.928","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mn Te -","- Mn Te -","- Mn4 Te4 -","4","0.5","","Mimasaka, M.; Sakamoto, I.; Fujii, Y.; Murata, K.; Onodera, A.","Pressure induced phase transitions of Mn Te","Journal of Physics C","1987","20","","4689","4694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","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",""
"1539728","8.378","","8.378","","10.65","","90","","90","","120","","647.382","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- Ge Te -","- Ge Te -","- Ge3 Te3 -","3","0.166667","","Chattopadhyay, T.K.; Boucherle, J.X.; von Schnering, H.G.","Neutron diffraction study on the structural phase transition in Ge Te","Journal of Physics C","1987","20","","1431","1440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541589","8.3415","","8.3415","","8.3415","","90","","90","","90","","580.407","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Ni Fe1.95 Mn.05 O4","","- Fe1.95 Mn0.05 Ni O4 -","- Fe1.95 Mn0.05 Ni O4 -","- Fe15.6 Mn0.4 Ni8 O32 -","8","0.0416667","","Subramanyam, K.N.","Neutron and X-Ray diffraction studies of certain doped nickel ferrites","Journal of Physics C","1971","4","","2266","2268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541595","9.918","","9.918","","9.918","","90","","90","","90","","975.601","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu0.5 Ga0.5 Cr2 S4","","- Cr2 Cu0.5 Ga0.5 S4 -","- Cr2 Cu0.5 Ga0.5 S4 -","- Cr16 Cu4 Ga4 S32 -","8","0.0416667","","Wilkinson, C.; Knapp, B.M.; Forsyth, J.B.","The magnetic structure of Cu0.5 Ga0.5 Cr3 S4","Journal of Physics C","1976","9","","4021","4033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541660","12.016","","12.016","","12.016","","90","","90","","90","","1734.92","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13 I)","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Thornley, F.R.; Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I at 77","Journal of Physics C","1976","9","","681","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542154","4.678","","4.678","","9.147","","90","","90","","90","","200.17","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Fe (Fe.25 Ta.75)2 O6","","- Fe1.5 O6 Ta1.5 -","- Fe1.5 O6 Ta1.5 -","- Fe3 O12 Ta3 -","2","0.125","","Norlund Christensen, A.; Johansson, T.; Lebech, B.","Magnetic properties and structure of chromium niobium oxide and iron tantalum oxide","Journal of Physics C","1976","9","","2601","2610","","","","","","","","","","","","","","","","","","","","","","has coordinates","174176","2020-10-21","18:00:00",""