# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-06T09:27:52+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 = 3 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
"1006040","13.7546","0.0014","6.1406","0.0005","10.3343","0.0012","90","","104.23","0.005","90","","846.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium tetrafluoromanganate(III) hydrate","","- F4 H2 K Mn O -","- F4 H2 K Mn O -","- F32 H16 K8 Mn8 O8 -","8","1","","Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J","Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K)","Journal of Physics: Condensed Matter","1991","3","","2379","2390","10.1088/0953-8984/3/14/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006041","13.8323","0.0004","6.4285","0.0002","10.4837","0.0003","90","","103.98","0.002","90","","904.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rubidium tetrafluoromanganate(III) hydrate","","- F4 H2 Mn O Rb -","- F4 H2 Mn O Rb -","- F32 H16 Mn8 O8 Rb8 -","8","1","","Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J","Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K)","Journal of Physics: Condensed Matter","1991","3","","2379","2390","10.1088/0953-8984/3/14/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006042","5.4618","0.0005","5.4967","0.0005","12.561","0.002","90","","90","","90","","377.1","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006043","5.4995","0.0001","5.4995","0.0001","12.5052","0.0002","90","","90","","90","","378.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006044","5.4419","0.0001","5.5364","0.0001","12.4896","0.0002","90","","90","","90","","376.3","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006045","5.4499","0.0002","5.5275","0.0002","12.5118","0.0003","90","","90","","90","","376.9","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006047","5.45514","0.00004","5.45514","0.00004","12.6461","0.0001","90","","90","","90","","376.3","","","","","","","","","","","","","3","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum nickel oxide (2/1/4.2)","","- La2 Ni O4.15 -","- La2 Ni O4.1512 -","- La8 Ni4 O16.6048 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1006048","5.4897","0.0003","5.4897","0.0003","12.5708","0.0007","90","","90","","90","","378.8","","","","","","","","","","","","","3","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum nickel oxide (2/1/4.1)","","- La2 Ni O4.1 -","- La2 Ni O4.1 -","- La8 Ni4 O16.4 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1510258","3.2767","","3.2767","","3.2767","","90","","90","","90","","35.181","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Au Nb3)0.5","","- Au0.5 Nb1.5 -","- Au0.5 Nb1.5 -","- Au0.5 Nb1.5 -","1","0.0104167","","Di, L.M.; Bakker, H.","Mechanically induced phase transformation in the Nb3 Au intermetallic compound","Journal of Physics: Condensed Matter","1991","3","","9319","9326","10.1088/0953-8984/3/47/005","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514086","4.61","","4.61","","4.61","","90","","90","","90","","97.972","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:45",""
"1514093","4.728","0.005","4.728","0.005","4.728","0.005","90","","90","","90","","105.69","0.19","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li1.96 O -","- Li7.84 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0431","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514094","4.764","0.005","4.764","0.005","4.764","0.005","90","","90","","90","","108.1","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li1.9996 O -","- Li7.9984 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0514","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514095","4.782","0.005","4.782","0.005","4.782","0.005","90","","90","","90","","109.4","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2.0002 O -","- Li8.0008 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0577","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514096","4.807","0.005","4.807","0.005","4.807","0.005","90","","90","","90","","111.1","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0613","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514097","4.837","0.005","4.837","0.005","4.837","0.005","90","","90","","90","","113.2","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2.0002 O -","- Li8.0008 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514098","4.689","0.005","4.689","0.005","4.689","0.005","90","","90","","90","","103.1","0.19","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium Oxide (2/1)","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:45",""
"1524241","7.74002","","7.74002","","7.70009","","90","","90","","90","","461.296","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mn2 Y","","- Mn Y -","- Mn Y -","- Mn8 Y8 -","8","0.25","","Cywinski, R.; Kilcoyne, S.H.; Scott, C.A.","Magnetic order and moment stability in Y Mn2","Journal of Physics: Condensed Matter","1991","3","","6473","6488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527433","4.3843","","7.0326","","7.4194","","90","","90","","90","","228.763","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Nd -","- Cu2 Nd -","- Cu8 Nd4 -","4","0.25","","Gratz, E.; Loewenhaupt, M.; Frick, B.; Divis, M.; Steiner, W.; Bauer, E.; Mueller, H.; Nowotny, H.; Pillmayr, N.","Structural, magnetic, electronic and transport properties of Nd Cu2","Journal of Physics: Condensed Matter","1991","3","","9297","9318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527562","8.776","","8.776","","12.6366","","90","","90","","120","","842.857","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Fe17 Nd2 N2.6","","- Fe17 N2.6 Nd2 -","- Fe17 N2.58 Nd2 -","- Fe51 N7.74 Nd6 -","3","0.0833333","","Ibberson, R.M.; Moze, O.; Jacobs, T.H.; Buschow, K.H.J.","Nitrogen atom location in rhombohedral and hexagonal RE2 Fe17 Nx compounds","Journal of Physics: Condensed Matter","1991","3","","1219","1226","","","","","","","","","","","","","","","","","","","","","","has coordinates","149190","2020-10-21","18:00:00",""
"1537944","5.689","","5.689","","5.689","","90","","90","","90","","184.123","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 S -","- Li2 S -","- Li8 S4 -","4","0.0208333","","Buehrer, W.; Altorfer, F.; Mesot, J.; Bill, H.; Smith, H.G.; Carron, P.","Lattice dynamics and the diffuse phase transition of lithium sulphide investigated by coherent neutron scattering.","Journal of Physics: Condensed Matter","1991","3","","1055","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537984","4.689","","4.689","","4.689","","90","","90","","90","","103.096","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li O2 -","- Li O2 -","- Li4 O8 -","4","0.0208333","","Farley, T.W.D.; Hayes, W.; Hull, S.; Hutchings, M.T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9016057","4.6893","","3.4268","","5.1321","","90","","99.653","","90","","81.302","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","1","","Asbrink, S.; Waskowska, A.","CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K","Journal of Physics: Condensed Matter","1991","3","","8173","8180","10.1088/0953-8984/3/42/012","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016326","4.6927","","3.4283","","5.137","","90","","99.546","","90","","81.5","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","1","","Asbrink, S.; Waskowska, A.","CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = room temperature","Journal of Physics: Condensed Matter","1991","3","","8173","8180","10.1088/0953-8984/3/42/012","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""