# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T14:52:20+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 = 11 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
"1521012","20.77499","","7.822","","6.963","","90","","90","","90","","1131.5","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K5 (La0.95 Er0.05) Li2 F10","","- Er0.05 F10 K5 La0.95 Li2 -","- Er0.05 F10 K5 La0.95 Li2 -","- Er0.2 F40 K20 La3.8 Li8 -","4","0.5","","Dominiak-Dzik, G.; Hermanowicz, K.; Golab, S.; Baluka, M.; Pietraszko, A.","K5 La Li2 F10 : Er(3+) crystals. Growth, structure and optical properties","Journal of Physics: Condensed Matter","1999","11","","5245","5256","","","","","","","","","","","","","","","","","","","","","","has coordinates","140638","2020-10-21","18:00:00",""
"1521153","5.67921","","7.70305","","5.54104","","90","","90","","90","","242.405","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Hibble, S.J.; Cooper, S.P.; Hannon, A.C.; Fawcett, I.D.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521154","5.45917","","7.71684","","5.47539","","90","","90","","90","","230.665","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.7 Ca0.3) (Mn O3)","","- Ca0.3 La0.7 Mn O3 -","- Ca0.3 La0.7 Mn O3 -","- Ca1.2 La2.8 Mn4 O12 -","4","0.5","","Hibble, S.J.; Cooper, S.P.; Fawcett, I.D.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521155","5.47967","","7.7495","","5.50384","","90","","90","","90","","233.719","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.8 Ca0.2) (Mn O3)","","- Ca0.2 La0.8 Mn O3 -","- Ca0.2 La0.8 Mn O3 -","- Ca0.8 La3.2 Mn4 O12 -","4","0.5","","Hibble, S.J.; Fawcett, I.D.; Cooper, S.P.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521156","5.503","","5.503","","13.34241","","90","","90","","120","","349.916","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.7 Sr0.3) (Mn O3)","","- La0.7 Mn O3 Sr0.3 -","- La0.7 Mn O3 Sr0.3 -","- La4.2 Mn6 O18 Sr1.8 -","6","0.166667","","Hibble, S.J.; Cooper, S.P.; Fawcett, I.D.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521187","5.5429","","5.5429","","13.4328","","90","","90","","120","","357.414","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Ga O3)","","- Ga La O3 -","- Ga La O3 -","- Ga6 La6 O18 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.","The orthorhombic and rhombohedral phases of La Ga O3 - a neutron powder diffraction study","Journal of Physics: Condensed Matter","1999","11","","3229","3236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521230","7.834","","20.176","","8.463","","90","","97.54","","90","","1326.08","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(C (N H2)3)3 (Br3 (Bi Br3)2)","","- C3 H18 Bi2 Br9 N9 -","- C3 Bi2 Br9 N9 -","- C6 Bi4 Br18 N18 -","2","0.5","","Jakubas, R.; Zaleski, J.; Kosturek, B.; Bator, G.","Structure and phase transitions in the ferroelastic (C (N H2)3)3 Bi2 Br9 crystal","Journal of Physics: Condensed Matter","1999","11","","4731","4746","","","","","","","","","","","","","","","","","","","","","","has coordinates","140911","2020-10-21","18:00:00",""
"1521298","8.638","","8.638","","4.837","","90","","90","","90","","360.913","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Pr Fe10.844 V1.156 N0.43","","- Fe10.844 N0.43 Pr V1.156 -","- Fe10.844 N0.428 Pr V1.156 -","- Fe21.688 N0.856 Pr2 V2.312 -","2","0.0625","","Mao, W.-H.; Xue, Y.-J.; Zhang, X.-D.; Cheng, B.-P.; Du Honglin; Ji, C.-G.; Zhang, B.-S.; Yang, Y.-C.","Neutron diffraction studies of Pr (Fe, V)12 and Pr (Fe, V)12 Nx","Journal of Physics: Condensed Matter","1999","11","","2487","2492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521385","5.4768","","5.5212","","7.789","","90","","90","","90","","235.528","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na4 O12 Ta4 -","4","0.5","","Kennedy, B.J.; Prodjosantoso, A.K.; Howard, C.J.","Powder neutron diffraction study of the high temperature phase transitions in Na Ta O3","Journal of Physics: Condensed Matter","1999","11","","6319","6327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521386","5.5503","","5.5503","","3.9335","","90","","90","","90","","121.175","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na2 O6 Ta2 -","2","0.125","","Kennedy, B.J.; Prodjosantoso, A.K.; Howard, C.J.","Powder neutron diffraction study of the high temperature phase transitions in Na Ta O3","Journal of Physics: Condensed Matter","1999","11","","6319","6327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521406","10.239","","10.029","","6.3154","","90","","90","","90","","648.509","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Tb (V O4)","","- O4 Tb V -","- O4 Tb V -","- O32 Tb8 V8 -","8","0.25","","Kirschbaum, K.; Martin, A.; Parrish, D.A.; Pinkerton, A.A.","Cooperative Jahn-Teller induced phase transition of Tb V O4: singlecrystal structure analyses of the tetragonal high temperaturephaseand the twinned orthorhombic phase below 33 K","Journal of Physics: Condensed Matter","1999","11","","4483","4490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521479","4.01","","4.01","","4.01","","90","","90","","90","","64.481","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pb ((Fe Nb) O6)0.5","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb1.0002 -","- Fe0.5 Nb0.5 O3 Pb1.0002 -","1","0.0208333","","Lampis, N.; Sciau, P.; Geddo Lehmann, A.","Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3","Journal of Physics: Condensed Matter","1999","11","","3489","3500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521480","5.674","","5.663","","4.013","","90","","89.84","","90","","128.945","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Fe0.5 Nb0.5) O3","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","- Fe Nb O6 Pb2 -","2","0.5","","Lampis, N.; Geddo Lehmann, A.; Sciau, P.","Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3","Journal of Physics: Condensed Matter","1999","11","","3489","3500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521484","13.707","","14.466","","9.366","","90","","133.64","","90","","1343.99","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Rb C60","","- C60 Na2 Rb -","- C60 Na2 Rb -","- C120 Na4 Rb2 -","2","0.5","","Lappas, A.; Brown, C.M.; Kordatos, K.; Prassides, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521485","14.0163","","14.0163","","14.0163","","90","","90","","90","","2753.6","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Na2 Rb C60","","- C60 Rb -","- C60 Rb -","- C240 Rb4 -","4","0.166667","","Lappas, A.; Brown, C.M.; Prassides, K.; Kordatos, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521532","5.2885","","5.2885","","7.8626","","90","","90","","90","","219.903","","","","","","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","W O3","","- O3 W -","- O3 W -","- O12 W4 -","4","0.25","","Locherer, K.R.; Swainson, I.P.; Salje, E.K.H.","Transition to a new tetragonal phase of W O3 : crystal structure and distortion parameters","Journal of Physics: Condensed Matter","1999","11","","4143","4156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521533","5.3031","","5.3031","","3.9348","","90","","90","","90","","110.658","","","","","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","W O3","","- O3 W -","- O3 W -","- O6 W2 -","2","0.125","","Locherer, K.R.; Swainson, I.P.; Salje, E.K.H.","Transition to a new tetragonal phase of W O3 : crystal structure and distortion parameters","Journal of Physics: Condensed Matter","1999","11","","4143","4156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521695","14.301","","3.598","","5.204","","90","","90","","90","","267.772","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd (V O3)","","- Cd O3 V -","- Cd O3 V -","- Cd4 O12 V4 -","4","0.5","","Onoda, M.; Nishiguchi, N.","S=1/2 zigzag-chain structure and ferromagnetism of Cd V O3","Journal of Physics: Condensed Matter","1999","11","","749","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521696","11.328","","3.6","","4.881","","90","","90","","90","","199.051","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ca0.95 Na0.05) (V2 O5)","","- Ca0.95 Na0.05 O5 V2 -","- Ca0.95 Na0.05 O5 V2 -","- Ca1.9 Na0.1 O10 V4 -","2","0.25","","Onoda, M.; Kagami, T.","Crystal structures and electronic properties in the crossover region between the spin-gap system Ca V2 O5 and the linear-chain system Na V2 O5","Journal of Physics: Condensed Matter","1999","11","","3475","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","141909","2020-10-21","18:00:00",""
"1521697","11.294","","3.606","","4.806","","90","","90","","90","","195.73","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ca0.17 Na0.83) (V2 O5)","","- Ca0.17 Na0.83 O5 V2 -","- Ca0.17 Na0.83 O5 V2 -","- Ca0.34 Na1.66 O10 V4 -","2","0.25","","Onoda, M.; Kagami, T.","Crystal structures and electronic properties in the crossover region between the spin-gap system Ca V2 O5 and the linear-chain system Na V2 O5","Journal of Physics: Condensed Matter","1999","11","","3475","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","141910","2020-10-21","18:00:00",""
"1521815","3.9092","","3.9092","","3.9092","","90","","90","","90","","59.74","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr0.96 Ca0.04) Ti O3","","- Ca0.04 O3 Sr0.96 Ti -","- Ca0.04 O3 Sr0.96 Ti -","- Ca0.04 O3 Sr0.96 Ti -","1","0.0208333","","Ranjan, R.; Pandey, D.; Paranjpe, S.K.; Krishna, P.S.R.; Siruguri, V.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521816","5.552","","5.546","","7.836","","90","","90","","90","","241.281","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Sr0.88 Ca0.12) Ti O3","","- Ca0.12 O3 Sr0.88 Ti -","- Ca0.122 O3 Sr0.88 Ti -","- Ca0.488 O12 Sr3.52 Ti4 -","4","0.5","","Ranjan, R.; Pandey, D.; Siruguri, V.; Krishna, P.S.R.; Paranjpe, S.K.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521817","5.525","","5.522","","7.7763","","90","","90","","90","","237.248","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Sr0.75 Ca0.25) Ti O3","","- Ca0.25 O3 Sr0.75 Ti -","- Ca0.245 O3 Sr0.75 Ti -","- Ca0.98 O12 Sr3 Ti4 -","4","0.5","","Ranjan, R.; Pandey, D.; Siruguri, V.; Krishna, P.S.R.; Paranjpe, S.K.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521818","5.498","","5.491","","7.753","","90","","90","","90","","234.059","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Sr0.5 Ca0.5) Ti O3","","- Ca0.5 O3 Sr0.5 Ti -","- Ca0.494 O2.99 Sr0.499 Ti -","- Ca1.976 O11.96 Sr1.996 Ti4 -","4","0.5","","Ranjan, R.; Pandey, D.; Paranjpe, S.K.; Siruguri, V.; Krishna, P.S.R.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521819","5.5263","","5.5263","","13.3499","","90","","90","","120","","353.084","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La0.9 Na0.1 Mn O3","","- La0.9 Mn Na0.1 O3 -","- La0.9 Mn Na0.1 O3 -","- La5.4 Mn6 Na0.6 O18 -","6","0.166667","","Rao, G.-H.; Baerner, K.; Sun, J.R.; Hamad, N.","Crystal structure and magnetoresistance of Na-doped La Mn O3","Journal of Physics: Condensed Matter","1999","11","","1523","1528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521952","5.276","","8.768","","9.122","","90","","90","","90","","421.983","","","","","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","Li (N H4) (S O4)","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H16 Li4 N4 O16 S4 -","4","1","","Solans, X.; Mata, J.; Calvet, M.T.; Font-Bardia, M.","X-ray structural characterization, Raman and thermal analysis of Li N H4 S O4 above room temperature","Journal of Physics: Condensed Matter","1999","11","","8995","9007","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1522187","3.918","","4.024","","5.629","","87.57","","90.3","","90.14","","88.666","","","","","","","","","","","","","3","P -1","-P 1","2","","(Bi0.667 La1.333) O3.364","","- Bi0.667 La1.333 O3.364 -","- Bi0.666 La1.334 O3.364 -","- Bi0.666 La1.334 O3.364 -","1","0.5","","Wolcyrz, M.; Horyn, R.; Bouree, F.","Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction","Journal of Physics: Condensed Matter","1999","11","","5757","5765","","","","","","","","","","","","","","","","","","","","","","has coordinates","142407","2020-10-21","18:00:00",""
"1522189","3.966","","3.966","","9.931","","90","","90","","120","","135.279","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","(Bi La2) O4.5","","- Bi La2 O4.5 -","- Bi0.999 La2.001 O4.5 -","- Bi0.999 La2.001 O4.5 -","1","0.0555556","","Wolcyrz, M.; Horyn, R.; Bouree, F.","Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction","Journal of Physics: Condensed Matter","1999","11","","5757","5765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522191","6.826","","3.987","","4.051","","90","","125.11","","90","","90.189","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Bi0.667 La1.333) O3","","- Bi0.667 La1.333 O3 -","- Bi0.666 La1.334 O3 -","- Bi0.666 La1.334 O3 -","1","0.125","","Wolcyrz, M.; Horyn, R.; Bouree, F.","Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction","Journal of Physics: Condensed Matter","1999","11","","5757","5765","","","","","","","","","","","","","","","","","","","","","","has coordinates","142411","2020-10-21","18:00:00",""