# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T21:06:04+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 = 33 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
"1000118","12.046","0.003","8.147","0.001","7.548","0.002","90","","121.83","0.02","90","","629.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H5 O6 P2 V -","- H20 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000119","12.179","0.004","8.096","0.001","7.638","0.003","90","","122.75","0.03","90","","633.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H5 O6 P2 V -","- H20 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000120","12.195","0.005","8.111","0.001","7.651","0.003","90","","122.69","0.03","90","","636.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H8 O6 P2 V -","- H32 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000121","12.262","0.008","8.069","0.002","7.702","0.005","90","","123.34","0.05","90","","636.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H5 O6 P2 V -","- H20 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005015","5.454","0.001","5.8098","0.0006","21.461","0.004","90","","90","","90","","680","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","Gadolinium sulfide (0.96/1)","","- Gd0.957 S -","- Gd0.957 S -","- Gd7.656 S8 -","8","","","Rouxel, J; Moelo, Y; Lafond, A; DiSalvo, F J; Meerschaut, A; Roesky, R","Role of vacancies in misfit layered compounds: the case of the gadolinium chromium sulfide compound","Inorganic Chemistry","1994","33","","3358","3363","10.1021/ic00093a026","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000038","16.004","0.002","16.004","0.002","14.988","0.003","90","","90","","90","","3838.85","","","","173.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H20 B F24 Li O4 -","- C128 H80 B F108 Li O16 -","- C512 H320 B4 F432 Li4 O64 -","4","0.25","","Golden, Josh H.; Mutolo, Paul F.; Lobkovsky, Emil B.; DiSalvo, Francis J.","Lithium-Mediated Organofluorine Hydrogen Bonding: Structure of Lithium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate Tetrahydrate","Inorganic Chemistry","1994","33","24","5374","5375","10.1021/ic00102a004","","","","","","","0.0556","","","0.0556","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"4331406","13.389","","13.389","","8.04","","90","","90","","120","","1248.2","","","","","","","","","","","","","3","P -6","P -6","174","","Rb (Ag5 S3)","","- Ag5 Rb S3 -","- Ag5 Rb S3 -","- Ag30 Rb6 S18 -","6","1","","Kolis, J.W.; Wood, P.T.; Pennington, W.T.","Synthesis of new channeled structures in supercritical amines: Preparation and structure of RbAg5S3 and CsAg7S4","Inorganic Chemistry","1994","33","","1556","1558","10.1021/ic00085a055","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331422","9.614","0.004","12.37","0.006","9.645","0.004","99.01","0.03","60.17","0.03","79.61","0.04","937.1","0.8","291","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Br4 Cu2 N16 O2 -","- C28 H36 Br4 Cu2 N16 O2 -","- C28 H36 Br4 Cu2 N16 O2 -","1","0.5","","M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Romero; Daniel Martín","Structural and Magnetic Studies on a Bromine-Bridged Copper(II) Dimer with 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine","Inorganic Chemistry","1994","33","","5477","5481","10.1021/ic00102a021","","","0.71073","MoKα","","0.109","0.053","","","","0.066","","","","","","0.46","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331426","5.283","","5.283","","17.518","","90","","90","","120","","423.425","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","K2 Zr (B O3)2","","- B2 K2 O6 Zr -","- B2 K2 O6 Zr -","- B6 K6 O18 Zr3 -","3","0.0833333","","Akella, A.; Keszler, D.A.","Buetschliite derivative K2Zr(BO3)2","Inorganic Chemistry","1994","33","","1554","1555","10.1021/ic00085a054","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331429","11.725","","13.004","","6.286","","90","","90","","90","","958.438","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Ba Be2 (B O3)2","","- B2 Ba Be2 O6 -","- B2 Ba Be2 O6 -","- B16 Ba8 Be16 O48 -","8","0.25","","Keszler, D.A.; Schaffers, K.I.","Tetrahedral triangular 3-D framework and europium luminescence in the borate BaBe2(BO3)2","Inorganic Chemistry","1994","33","","1201","1204","10.1021/ic00084a038","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331448","7.73","","7.73","","18.853","","90","","90","","120","","975.596","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Li14 Be5 B (B O3)9","","- B10 Be5 Li14 O27 -","- B10.0002 Be4.9998 Li14 O27 -","- B20.0004 Be9.9996 Li28 O54 -","2","0.166667","","Luce, J.L.; Keszler, D.A.; Schaffers, K.I.","Structure of the borate Li14Be5B(BO3)9","Inorganic Chemistry","1994","33","","2453","2455","10.1021/ic00089a023","","","","","","","","","","","","","","","","","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4341103","15.593","0.001","15.593","0.001","3.8282","0.0003","90","","90","","90","","930.79","0.11","","","","","","","","","","","","3","I 4/m","-I 4","87","","Niobium Phosphate","","- Nb18 O50 P2.5 -","- Nb18 O50 P2.5 -","- Nb18 O50 P2.5 -","1","0.0625","","Xu, J.; Chen, S.C.; Ramanujachary, K.V.; Greenblatt, M.","Synthesis, structure and physical properties of Nb18P2.5O50","Inorganic Chemistry","1994","33","","267","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4345175","6.6954","0.0003","7.7925","0.0003","7.3504","0.0003","90","","115.255","0.001","90","","346.84","0.03","","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 O5 P V -","- O5 P V -","- O20 P4 V4 -","4","0.5","","Vaughey, J. T.; Harrison, William T. A.; Jacobson, Allan J.; Gosborn, David P.; Johnson, Jack W.","Synthesis, structure, and properties of two new vanadium(III) phosphates: VPO4.H2O and V1.23(PO4)(OH)0.69(H2O)0.31.0.33H2O","Inorganic Chemistry","1994","33","","2481","2487","10.1021/ic00089a027","powder diffraction","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","191867","2020-10-21","18:00:00",""
"4345176","5.1811","0.0002","5.1811","0.0002","12.9329","0.0004","90","","90","","90","","347.17","0.02","","","298","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- H1.97 O5.33 P V1.23 -","- O5 P V1.23 -","- O20 P4 V4.92 -","4","0.125","","Vaughey, J. T.; Harrison, William T. A.; Jacobson, Allan J.; Gosborn, David P.; Johnson, Jack W.","Synthesis, structure, and properties of two new vanadium(III) phosphates: VPO4.H2O and V1.23(PO4)(OH)0.69(H2O)0.31.0.33H2O","Inorganic Chemistry","1994","33","","2481","2487","10.1021/ic00089a027","powder diffraction","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","191868","2020-10-21","18:00:00",""