# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:48:15+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: Condensed Matter') AND volume = 1 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
"1000273","5.0881","0.0002","5.0881","0.0002","12.7245","0.0004","90","","90","","90","","329.4","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.72 N0.93 Rb0.07 -","- Al F4 H3.72 N0.93 Rb0.07 -","- Al4 F16 H14.88 N3.72 Rb0.28 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000274","5.0893","0.0001","5.0893","0.0001","12.7177","0.0003","90","","90","","90","","329.4","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.6 N0.9 Rb0.1 -","- Al F4 H3.6 N0.9 Rb0.1 -","- Al4 F16 H14.4 N3.6 Rb0.4 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.141","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000275","5.0569","0.0001","5.0569","0.0001","12.7091","0.0003","90","","90","","90","","325","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Rubidium ammonium tetrafluoroaluminate (0.03/1/1)","","- Al F4 H3.88 N0.97 Rb0.03 -","- Al F4 H3.88 N0.97 Rb0.03 -","- Al4 F16 H15.52 N3.88 Rb0.12 -","4","0.25","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.1528","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000276","5.0579","0.0001","5.0579","0.0001","12.7003","0.0002","90","","90","","90","","324.9","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.72 N0.93 Rb0.07 -","- Al F4 H3.72 N0.93 Rb0.07 -","- Al4 F16 H14.88 N3.72 Rb0.28 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ AL F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000277","5.06","0.001","5.06","0.001","12.6977","0.0003","90","","90","","90","","325.1","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.6 N0.9 Rb0.1 -","- Al F4 H3.6 N0.9 Rb0.1 -","- Al4 F16 H14.4 N3.6 Rb0.4 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509798","2.97735","","2.97735","","5.688","","90","","90","","120","","43.667","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ag2 F -","- Ag2 F -","- Ag2 F -","1","0.0833333","","Williams, A.","Neutron powder diffraction study of silver subfluoride","Journal of Physics: Condensed Matter","1989","1","","2569","2574","10.1088/0953-8984/1/15/002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524803","4.689","","4.689","","4.689","","90","","90","","90","","103.096","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Fe Ge -","- Fe Ge -","- Fe4 Ge4 -","4","0.333333","","Lebech, B.; Bernhard, J.; Freltoft, T.","Magnetic structures of cubic Fe Ge studied by small-angle neutron scatttering","Journal of Physics: Condensed Matter","1989","1","","6105","6122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530029","7.427","","7.427","","7.427","","67.89","","67.89","","67.89","","338.235","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","(C (N H2)3) (P F6)","","- C H6 F6 N3 P -","- C H6 F6 N3 P -","- C2 H12 F12 N6 P2 -","2","0.166667","","Grottel, M.; de Kozak, A.; Koziol, A.E.; Pajak, Z.","An x-ray and NMR study of structure and ion motion in C (N H3)3 P F6","Journal of Physics: Condensed Matter","1989","1","","7069","7083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530138","4.6227","","6.5142","","5.7186","","90","","96.616","","90","","171.059","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Pb (H P O4)","","- H O4 P Pb -","- O4 P Pb -","- O8 P2 Pb2 -","2","0.5","","Katrusiak, A.; Nelmes, R.J.","Pressure dependence of the crystal structure of lead hydrogen phosphate (Pb H P O4)","Journal of Physics: Condensed Matter","1989","1","","10165","10174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530986","7.82","","10.441","","5.979","","90","","90","","90","","488.177","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Rb2 (S O4)","","- O4 Rb2 S -","- O4 Rb2 S -","- O16 Rb8 S4 -","4","0.5","","Weber, H.J.; Granzin, J.; Schulz, M.; Schmitz, S.; Siegert, H.","Determination and structural application of anisotropic bond polarisabilities in complex crystals","Journal of Physics: Condensed Matter","1989","1","","8543","8557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530987","8.239","","10.937","","6.256","","90","","90","","90","","563.728","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 (S O4)","","- Cs2 O4 S -","- Cs2 O4 S -","- Cs8 O16 S4 -","4","0.5","","Weber, H.J.; Schulz, M.; Schmitz, S.; Granzin, J.; Siegert, H.","Determination and structural application of anisotropic bond polarisabilities in complex crystals","Journal of Physics: Condensed Matter","1989","1","","8543","8557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538915","5.927","","5.927","","5.927","","90","","90","","90","","208.212","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Ni Sb -","- Mn Ni Sb -","- Mn4 Ni4 Sb4 -","4","0.0416667","","Otto, M.J.; van der Valk, P.J.; van Woerden, R.A.M.; Wijngaard, J.; Buschow, K.H.J.; Haas, C.; van Bruggen, C.F.","Half-metallic ferromagnets: I. Structure and magnetic properties of Ni Mn Sb and related inter-metallic compounds","Journal of Physics: Condensed Matter","1989","1","","2341","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538917","6.195","","6.195","","6.195","","90","","90","","90","","237.752","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Pt Sb -","- Mn Pt Sb -","- Mn4 Pt4 Sb4 -","4","0.0416667","","Otto, M.J.; van Woerden, R.A.M.; van der Valk, P.J.; Haas, C.; Wijngaard, J.; van Bruggen, C.F.; Buschow, K.H.J.","Half-metallic ferromagnets: I. Structure and magnetic properties of Ni Mn Sb and related inter-metallic compounds","Journal of Physics: Condensed Matter","1989","1","","2341","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539608","8.4875","","8.4875","","5.7901","","90","","90","","90","","417.105","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Attfield, J.P.","Exchange striction and exchange constants in Bi2 Cu O4","Journal of Physics: Condensed Matter","1989","1","","7045","7053","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9013998","4.558","","4.558","","4.558","","90","","90","","90","","94.694","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Lebech, B.; Bernhard, J.; Freltoft, T.","Magnetic structures of cubic FeGe studied by small-angle neutron scattering","Journal of Physics: Condensed Matter","1989","1","","6105","6122","10.1088/0953-8984/1/35/010","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""