# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-06T11:57:14+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 = 7 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
"1001709","5.488","0.001","5.475","0.001","31.50899","0.005","90","","90","","90","","946.7","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium iron oxide (2/2.6/2/11)","","- Bi2 Fe2 O11 Sr2.591 -","- Bi2 Fe2 O11 Sr2.591 -","- Bi8 Fe8 O44 Sr10.364 -","4","0.125","","Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d","Journal of Physics: Condensed Matter","1995","7","","10003","10014","10.1088/0953-8984/7/50/030","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006079","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0008 Mn N -","- F3 H8.0008 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006080","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H4.0833 Mn N -","- F3 H4.0833 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006081","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0495 Mn N -","- F12 H32.198 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006082","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.037 Mn N -","- F12 H32.148 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006098","13.5795","0.0007","9.7024","0.0007","7.0147","0.0003","90","","90","","90","","924.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium aquapentachloroferrate(III)","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006099","13.5862","0.0009","9.7087","0.0005","7.0177","0.0005","90","","90","","90","","925.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006100","13.4653","0.0003","9.6132","0.0002","6.9836","0.0002","90","","90","","90","","904","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006101","13.4389","0.0003","9.6025","0.0002","6.9789","0.0002","90","","90","","90","","900.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006102","13.4391","0.0003","9.5981","0.0002","6.9797","0.0002","90","","90","","90","","900.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006103","13.8015","0.0002","9.9049","0.0001","7.0783","0.0001","90","","90","","90","","967.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006104","13.7101","0.0001","9.8517","0.0001","7.0255","0","90","","90","","90","","948.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006105","13.6798","0.0002","9.8507","0.0002","7.0069","0.0001","90","","90","","90","","944.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006106","13.6801","0.0002","9.8471","0.0002","7.0073","0.0001","90","","90","","90","","943.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1511184","8.509","","8.509","","4.808","","90","","90","","90","","348.114","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Y (Fe3.04 Ti0.52 B0.43) Fe8 Ti0.39","","- B0.43 Fe11.04 Ti0.91 Y -","- B0.4348 Fe11.0448 Ti0.9148 Y -","- B0.8696 Fe22.0896 Ti1.8296 Y2 -","2","0.0625","","Zhang, B.-S.; Du Honglin; Zhang, Z.-D.; Yang, J.-L.; Zhang, D.; Chuang, Y.C.","Neutron diffraction study of the boride Y (Fe11.04 Ti0.52 B0.43) Ti0.39: a new phase of a ThMn12-type intermatallic interstitial compound","Journal of Physics: Condensed Matter","1995","7","","2587","2592","10.1088/0953-8984/7/13/008","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1543733","6.809","0.001","6.809","0.001","20.4439","0.003","90","","90","","120","","820.8","0.2","270","","","","","","","","","","","3","R -3 :H","-R 3","148","","Phyllo-dichromiumhexatellurodigermanate","","- Cr2 Ge2 Te6 -","- Cr2 Ge2 Te6 -","- Cr6 Ge6 Te18 -","3","0.166667","","Carteaux, V.; Brunet, D.; Ouvrard, G.; Andre, G.","Crystallographic, magnetic and electronic structures of a new layered ferromagnetic compound Cr2 Ge2 Te6","Journal of Physics: Condensed Matter","1995","7","","69","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""