# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-07T03:59:50+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 Materials Chemistry') AND volume = 5 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
"1001710","5.4604","0.0003","5.5227","0.0003","12.2112","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.125","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001711","5.4606","0.0003","5.5228","0.0003","12.2112","0.0006","90","","90","","90","","368.3","","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001712","5.4604","0.0003","5.5227","0.0003","12.211","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","P 21 a m","P -2 2a","26","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"6000675","9.791","","8.848","","6.834","","90","","107.8","","90","","563.69","","","","","","","","","","","","","3","C 1 2/m 1","","","","","","- Cr O4 V -","","","","","","Touboul, M.; Melghit, K.","Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V)","Journal of Materials Chemistry","1995","5","","147","150","10.1039/jm9950500147","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000676","8.277","","9.291","","7.527","","90","","109.26","","90","","546.44","","","","","","","","","","","","","3","?","","","","","","- Cr2 O13 V4 -","","","","","","Touboul, M.; Melghit, K.","Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V)","Journal of Materials Chemistry","1995","5","","147","150","10.1039/jm9950500147","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7209383","4.601","","7.371","","7.881","","90","","90","","90","","267.276","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Ge","","- Au Eu Ge -","- Au Eu Ge -","- Au4 Eu4 Ge4 -","4","0.5","","Poettgen, R.","Crystal structure, magnetic susceptibility and electrical conductivity of Eu Au Ge: a new ordered version of the Ce Cu2 - type structure","Journal of Materials Chemistry","1995","5","","505","508","10.1039/jm9950500505","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209458","3.8974","","3.8974","","26.64929","","90","","90","","90","","404.795","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Nd1.5 Ce0.5) (Sr1.5 Nd0.5) Cu2 O6 (B O3)","","- B Ce0.5 Cu2 Nd2 O9 Sr1.5 -","- B Ce0.5 Cu2 Nd2 O9 Sr1.5 -","- B2 Ce Cu4 Nd4 O18 Sr3 -","2","0.0625","","Li, R.-K.","Preparation and structure of Nd2 Sr1.5 Ce0.5 Cu2 O6 B O3: a 1222 phase containing a borate group as a connecting element","Journal of Materials Chemistry","1995","5","","1973","1974","10.1039/jm9950501973","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214210","4.578","0.0002","5.7488","0.0003","2.8054","0.0001","90","","90","","90","","73.833","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214211","4.5809","0.0002","5.7487","0.0004","2.8047","0.0002","90","","90","","90","","73.86","0.008","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214212","4.5825","0.0002","5.7526","0.0003","2.8067","0.0001","90","","90","","90","","73.988","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214213","4.5758","0.0001","5.7517","0.0001","2.8062","0.0001","90","","90","","90","","73.855","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214214","4.5752","0.0001","5.7506","0.0001","2.8061","0.0001","90","","90","","90","","73.829","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7214215","4.5771","0.0001","5.7561","0.0002","2.8076","0.0001","90","","90","","90","","73.97","0.004","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"7228418","5.10555","0.00008","5.85403","0.00007","5.10587","0.00006","90","","110.039","0.001","90","","143.366","0.003","","","293","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","","","- Li3 O4 Ru -","- Li3 O4 Ru -","- Li6 O8 Ru2 -","2","0.5","","Bush, T. S.; Catlow, C. R. A.; Battle, P. D.","Evolutionary programming techniques for predicting inorganic crystal structures","Journal of Materials Chemistry","1995","5","","1269","1272","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.084","","","","","","","","has coordinates","197601","2020-10-21","18:00:00",""