# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T19:11:28+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 'Inorganic Chemistry') AND volume = 31 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
"1005003","7.84","0.001","14.431","0.002","6.237","0.001","90","","90","","90","","705.6","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Niobium(II) cobalt telluride","","- Co Nb Te2 -","- Co Nb Te2 -","- Co8 Nb8 Te16 -","8","","","Li, J; Badding, M E; DiSalvo, F J","New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)","Inorganic Chemistry","1992","31","","1050","1054","10.1021/ic00032a024","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005004","7.922","0.001","7.239","0.001","6.243","0.001","90","","90","","90","","358","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Niobium(II) iron telluride","","- Fe Nb Te2 -","- Fe Nb Te2 -","- Fe4 Nb4 Te8 -","4","0.5","","Li, J; Badding, M E; DiSalvo, F J","New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)","Inorganic Chemistry","1992","31","","1050","1054","10.1021/ic00032a024","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005012","10.033","0.003","10.033","0.003","10.033","0.003","90","","90","","90","","1009.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium cobalt sulfide (6/25/27)","","- Ba6 Co25 S27 -","- Ba6 Co25 S27 -","- Ba6 Co25 S27 -","1","0.0208333","","Snyder, G J; Badding, M E; DiSalvo, F J","Synthesis, structure and properties of Ba~6~Co~25~S~27~: a perovskite- like superstructure of Co~8~S~6~ and Ba~6~S clusters","Inorganic Chemistry","1992","31","","2107","2110","10.1021/ic00037a024","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008532","9.688","0.002","8.002","0.001","8.339","0.001","90","","90","","90","","646.5","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium catena-pentafluoromanganate(III) hydrate","","- F5 H2 Mn O Tl2 -","- F5 H4 Mn O Tl2 -","- F20 H16 Mn4 O4 Tl8 -","4","0.25","","Nunez, P; Tressaud, A; Darriet, J; Hagenmuller, P; Hahn, G; Frenzen, G; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new linear chain compound: crystal and magnetic structures of Tl~2~MnF~5~.H~2~O","Inorganic Chemistry","1992","31","","770","774","10.1021/ic00031a015","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008533","9.526","0.002","7.861","0.001","8.317","0.001","90","","90","","90","","622.8","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium catena-pentafluoromanganate(III) hydrate","","- F5 H2 Mn O Tl2 -","- F5 H4 Mn O Tl2 -","- F20 H16 Mn4 O4 Tl8 -","4","0.25","","Nunez, P; Tressaud, A; Darriet, J; Hagenmuller, P; Hahn, G; Frenzen, G; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new linear chain compound: crystal and magnetic structures of Tl~2~MnF~5~.H~2~O","Inorganic Chemistry","1992","31","","770","774","10.1021/ic00031a015","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4331436","6.849","","5","","12.718","","90","","92.53","","90","","435.103","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Rb Zn4 (B O3)3","","- B3 O9 Rb Zn4 -","- B3 O9 Rb Zn4 -","- B6 O18 Rb2 Zn8 -","2","0.5","","Keszler, D.A.; Luce, J.L.; Smith, R.W.","Framework alkali metal zinc orthoborates: A Zn4 (B O3)3 (A = K, Rb, Cs)","Inorganic Chemistry","1992","31","","4679","4682","10.1021/ic00048a042","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4344366","6.547","","6.547","","6.547","","90","","90","","90","","280.625","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Na2 S -","- Na2 S -","- Na8 S4 -","4","0.0208333","","Bonneau, P.R.; Jarvis, R.F.jr.; Kaner, R.B.","Solid-state metathesis as a quick route to transition- metal mixed dichalcogenides","Inorganic Chemistry","1992","31","","2127","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344367","7.3","","7.3","","7.3","","90","","90","","90","","389.017","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Na2 Te -","- Na2 Te -","- Na8 Te4 -","4","0.0208333","","Bonneau, P.R.; Jarvis, R.F.jr.; Kaner, R.B.","Solid-state metathesis as a quick route to transition- metal mixed dichalcogenides","Inorganic Chemistry","1992","31","","2127","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4345023","9.1305","0.0001","9.1305","0.0001","8.1318","0.0002","90","","90","","90","","677.92","0.02","","","292","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- As2 H4 O9 V -","- As2 H8 O9 V -","- As8 H32 O36 V4 -","4","0.125","","Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian; Martinez-Lara, Maria","Order and disorder of vanadyl chains: crystal structures of Vanadyl difydrogen arsenate (VO(H2AsO4)2) and the lithium derivative Li4VO(AsO4)2","Inorganic Chemistry","1992","31","","1045","1049","10.1021/ic00032a023","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.055","","","","","","","","","has coordinates","190436","2020-10-21","18:00:00",""
"4345024","9.0293","0.0002","9.0293","0.0002","9.0053","0.0004","90","","90","","90","","734.19","0.04","","","292","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As2 Li4 O9 V -","- As2 Li4 O9 V1.004 -","- As8 Li16 O36 V4.016 -","4","0.25","","Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian; Martinez-Lara, Maria","Order and disorder of vanadyl chains: crystal structures of Vanadyl difydrogen arsenate (VO(H2AsO4)2) and the lithium derivative Li4VO(AsO4)2","Inorganic Chemistry","1992","31","","1045","1049","10.1021/ic00032a023","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.093","","","","","","","","","has coordinates","190437","2020-10-21","18:00:00",""
"4345038","7.531","0.002","15.522","0.004","9.149","0.002","90","","113.52","0.02","90","","980.6","0.4","","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca2 H4 O13 P3 V -","- Ca2 H4 O13 P3 V -","- Ca8 H16 O52 P12 V4 -","4","0.5","","Lii, K. H.; Wen, N. S.; Su, C. C.; Chueh, B. R.","Hydrothermal synthesis and structural characterization of two calcium vanadium(III) phosphates: Ca2V(PO4)(HPO4)2.H2O and Ca2V(PO4)(P2O7)","Inorganic Chemistry","1992","31","","439","442","10.1021/ic00029a017","","x-ray","0.71073","MoKα","","","0.0215","","","0.0206","","","","","","","","","","","has coordinates","190557","2020-10-21","18:00:00",""
"4345039","6.391","0.002","6.6362","0.0009","19.071","0.002","90","","99.26","0.02","90","","798.3","0.3","","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca2 O11 P3 V -","- Ca2 O11 P3 V -","- Ca8 O44 P12 V4 -","4","1","","Lii, K. H.; Wen, N. S.; Su, C. C.; Chueh, B. R.","Hydrothermal synthesis and structural characterization of two calcium vanadium(III) phosphates: Ca2V(PO4)(HPO4)2.H2O and Ca2V(PO4)(P2O7)","Inorganic Chemistry","1992","31","","439","442","10.1021/ic00029a017","","x-ray","0.7093","MoKα","","","0.029","","","0.034","","","","","","","","","","","has coordinates","190558","2020-10-21","18:00:00",""
"9012518","6.264","","6.264","","13.428","","90","","90","","90","","526.884","","","","","","","","","","","","Synthetic","4","I 4/m m m","-I 4 2","139","","","","- Co O14 P2 V2 -","- Co O14 P2 V2 -","- Co2 O28 P4 V4 -","2","0.0625","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012519","6.3484","","6.35","","6.597","","106.81","","94.09","","90.02","","253.867","","","","","","","","","","","","Synthetic","5","P 1","P 1","1","","","Sincosite","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012520","9.026","","9.01","","12.841","","90","","100.19","","90","","1027.81","","","","","","","","","","","","Synthetic","5","C 1 c 1","C -2yc","9","","","","- H8 O14 P2 Sr V2 -","- H8 O14 P2 Sr V2 -","- H32 O56 P8 Sr4 V8 -","4","1","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012521","9.03","","9.021","","12.874","","90","","100.16","","90","","1032.27","","","","","","","","","","","","Synthetic","5","C 1 c 1","C -2yc","9","","","","- H6 O14 P2 Pb V2 -","- H6 O14 P2 Pb V2 -","- H24 O56 P8 Pb4 V8 -","4","1","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""