# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T05:53:08+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 = 20 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
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""