# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-06T13:11:35+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: Condensed Matter') AND volume = 2 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
"1000439","7.6651","0.0013","7.6316","0.0015","6.2789","0.0006","90","","90","","90","","367.3","","","","","","","","","","","","","3","P m a b","-P 2b 2a","57","","Rubidium tetrafluoroferrate(III)","","- F4 Fe Rb -","- F4 Fe Rb -","- F16 Fe4 Rb4 -","4","0.5","","Moron, M C; Bulou, A; Pique, C; Fourquet, J L","Structural phase transitions in Rb Fe F4: I.Powder and single crystal X- ray diffraction study of the room temperature phase","Journal of Physics: Condensed Matter","1990","2","","8269","8275","10.1088/0953-8984/2/42/005","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000467","4.9305","0.0006","4.9305","0.0006","12.4462","0.0007","90","","90","","120","","262","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al6 F18 -","6","0.166667","","Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R","A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum","Journal of Physics: Condensed Matter","1990","2","","5663","5677","10.1088/0953-8984/2/26/003","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001508","35.1869","0.0022","17.6202","0.0018","7.9876","0.001","90","","90","","90","","4952.3","","","","","","","","","","","","","4","B b m 2","B 2 -2b","40","","Tetrabarium disodium decaniobate","","- Ba4 Na2 Nb10 O30 -","- Ba4 Na2 Nb10 O30 -","- Ba32 Na16 Nb80 O240 -","8","1","","Labbe, P; Leligny, H; Raveau, B; Schneck, J; Toledano, J C","X-ray structural determination of the quasi-commensurate phase of barium sodium niobate","Journal of Physics: Condensed Matter","1989","2","","25","43","10.1088/0953-8984/2/1/002","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006028","8.4989","0.0001","8.4989","0.0001","5.7973","0.0001","90","","90","","90","","418.7","","","","1.5","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006029","8.4988","0.0001","8.4988","0.0001","5.7976","0.0001","90","","90","","90","","418.8","","","","30","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006030","8.4987","0.0001","8.4987","0.0001","5.7999","0.0001","90","","90","","90","","418.9","","","","75","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006031","8.5039","0.0001","8.5039","0.0001","5.8202","0.0001","90","","90","","90","","420.9","","","","290","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008794","5.466","0.001","5.466","0.001","13.982","0.002","90","","90","","120","","361.8","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cobalt hexafluorozirconate - LT","","- Co F6 Zr -","- Co F6 Zr -","- Co3 F18 Zr3 -","3","0.166667","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008795","7.989","0.001","7.989","0.001","7.989","0.001","90","","90","","90","","509.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cobalt hexafluorozirconate - HT","","- Co F6 Zr -","- Co F6 Zr -","- Co4 F24 Zr4 -","4","0.0208333","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509187","5.6169","","5.6169","","22.5973","","90","","90","","120","","617.42","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al11 O17 -","- Ag1.001 Al11 O16.999 -","- Ag2.002 Al22 O33.998 -","2","0.0833333","","Cheetham, A.K.; Tofield, B.C.; Newsam, J.M.","Stoichiometric silver beta alumina studied at 25,300 and 500C by powder neutron diffraction","Journal of Physics: Condensed Matter","1990","2","","2335","2344","10.1088/0953-8984/2/10/001","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522557","8.64","","8.64","","5.03","","90","","90","","90","","375.487","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Al7.02 Fe4.98 Y -","- Al7.016 Fe4.984 Y -","- Al14.032 Fe9.968 Y2 -","2","0.0625","","Moze, O.; Ibberson, R.M.; Buschow, K.H.J.","On the preferential site occupation of Fe in R Fe4 Al8 and related compounds","Journal of Physics: Condensed Matter","1990","2","","1677","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523914","7.898","","7.898","","7.898","","90","","90","","90","","492.665","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Al0.2 Bi0.8)2 Gd","","- Al0.4 Bi1.6 Gd -","- Al0.4 Bi1.6 Gd -","- Al3.2 Bi12.8 Gd8 -","8","0.0416667","","Jarosz, J.; Chelkowski, A.; Slebarski, A.","Paramagnetic and electron spin resonance investigation of the Gd (Al1-x Bix)2 Laves phase compounds","Journal of Physics: Condensed Matter","1990","2","","7181","7186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527847","5.016","","5.016","","3.982","","90","","90","","120","","86.765","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Co5 (Nd0.5 Pr0.5)","","- Co5 Nd0.5 Pr0.5 -","- Co5 Nd0.5 Pr0.5 -","- Co5 Nd0.5 Pr0.5 -","1","0.0416667","","Moze, O.; del Moral, A.; Ibarra, M.R.; Marusi, G.; Algarabel, P.A.","Spin reorientation phse transitions in RE-Co5 hexagonal ferromagnets","Journal of Physics: Condensed Matter","1990","2","","6031","6043","","","","","","","","","","","","","","","","","","","","","","has coordinates","149628","2020-10-21","18:00:00",""
"1527967","5.9371","","3.4997","","6.7158","","90","","90","","90","","139.541","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Radhakrishna, P.; Fujii, H.; Schweiss, P.; Brown, P.J.; Reichardt, W.; Doniach, S.","Magnetic and neutron diffraction studies on (Co1-x Mnx)2 P","Journal of Physics: Condensed Matter","1990","2","","3359","3368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539520","4.1972","","4.1972","","9.6906","","90","","90","","90","","170.714","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pt2 U Si2","","- Pt2 Si2 U -","- Pt2 Si2 U -","- Pt4 Si4 U2 -","2","0.125","","Steeman, R.A.; Frikkee, E.; Mentink, S.A.M.; Mydosh, J.A.; Menovsky, A.A.; Nieuwenhuys, G.J.","Hybridization effects in U Pt2 Si2","Journal of Physics: Condensed Matter","1990","2","","4059","4066","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540215","35.1869","","17.6202","","7.9876","","90","","90","","90","","4952.31","","","","","","","","","","","","","4","B b m 2","B 2 -2b","40","","Ba4 Na2 (Nb10 O30)","","- Ba4 Na2 Nb10 O30 -","- Ba4 Na2 Nb10 O30 -","- Ba32 Na16 Nb80 O240 -","8","1","","Labbe, P.; Raveau, B.; Leligny, H.; Toledano, J.C.; Schneck, J.","X-ray structural determination of the quasi-commensurate phase of barium sodium niobate","Journal of Physics: Condensed Matter","1990","2","","25","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","208256","2020-10-21","18:00:00",""