# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-24T13:24:28+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 'Inorganic Chemistry') AND volume = 9 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
"4343635","7.882","","7.882","","7.882","","90","","90","","90","","489.677","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Gd S2 -","- Gd S2 -","- Gd8 S16 -","8","0.0416667","","Webb, A.W.; Hall, H.T.","High-pressure synthesis of rare earth polysulfides","Inorganic Chemistry","1970","9","","1084","1090","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343640","13.04","","13.04","","8.4","","90","","90","","120","","1236.99","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","(N H4)3 Tc2 Cl8 (H2 O)2","","- Cl8 H16 N3 O2 Tc2 -","- Cl8 H16 N3 O2 Tc2 -","- Cl24 H48 N9 O6 Tc6 -","3","0.5","","Bratton, W. K.; Cotton, F. A.","Characterization of the trinegative octachloroditechnetate ion","Inorganic Chemistry","1970","9","","789","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343737","8","","8","","5.409","","90","","90","","90","","346.176","","","","","","","","","","","","","5","I -4","I -4","82","","Cu N H4 Mo S4","","- Cu H4 Mo N S4 -","- Cu Mo N S4 -","- Cu2 Mo2 N2 S8 -","2","0.25","","Binnie, W.P.; Redman, M.J.; Mallio, W.J.","On the preparation, properties, and structure of cuprous ammonium thiomolybdate","Inorganic Chemistry","1970","9","","1449","1452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343764","8.87","","8.23","","11.02","","90","","110.2","","90","","754.981","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ca (C O3) (H2 O)6","","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Dickens, B.; Brown, W.E.","The crystal structure of calcium carbonate hexahydrate at ca.-120 degrees C","Inorganic Chemistry","1970","9","","480","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343767","3.831","","3.831","","5.963","","90","","90","","90","","87.516","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","Sn P","","- P Sn -","- P Sn -","- P2 Sn2 -","2","0.125","","Donohue, P.C.","The synthesis, structure, and superconducting properties of new high-pressure forms of tin phosphide","Inorganic Chemistry","1970","9","","335","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343768","8.224","","11.418","","18.591","","90","","90","","90","","1745.72","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Co (Si F3) (C O)4","","- C4 Co F3 O4 Si -","- C4 Co F3 O4 Si -","- C32 Co8 F24 O32 Si8 -","8","","","Emerson, K.; Robinson, W.T.; Ireland, P.R.","The crystal and molecular structure of trifluorosilytetracarbonylcobalt","Inorganic Chemistry","1970","9","","436","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343788","21.219","","7.653","","8.106","","90","","90","","90","","1316.32","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Co (N H3)6) (Zn Cl4) Cl","","- Cl5 Co H18 N6 Zn -","- Cl5 Co H18 N6 Zn -","- Cl20 Co4 H72 N24 Zn4 -","4","0.5","","Meek, D.W.; Ibers, J.A.","The crystal structure of hexaamminecobalt (III) tetrachlorozincate(II) chloride, (Co (N H3)6) (Zn Cl4) Cl","Inorganic Chemistry","1970","9","","465","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343800","10.328","","15.103","","7.756","","90","","124.1","","90","","1001.8","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","((N H3)4 Co (N H2) (N O2) Co (N H3)4) Cl4 (H2 O)4","","- Cl4 Co2 H34 N10 O6 -","- Cl4 Co2 H34 N10 O6 -","- Cl8 Co4 H68 N20 O12 -","2","0.5","","Thewalt, U.; Marsh, R.E.","The structure of mue-amido-mue-nitro bis(tetraamminecobalt(III)) tetrachloride tetrahydrate","Inorganic Chemistry","1970","9","","1604","1610","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343803","8.922","","8.922","","8.922","","90","","90","","90","","710.21","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- La4 Rh2.91 -","- La4 Rh2.91 -","- La16 Rh11.64 -","4","0.0833333","","Virkar, A.V.; Yingh, P.P.; Raman, A.","The anti-Th3 P4 - type structure in the lanthanum - rhodium system: La4 Rhca3.0","Inorganic Chemistry","1970","9","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344163","13.02","","7.63","","13.08","","90","","122.4","","90","","1097.12","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Co H (P F3)4","","- Co F12 H P4 -","- Co F12 P4 -","- Co4 F48 P16 -","4","0.5","","Frenz, B.A.; Ibers, J.A.","The Structure of Hydridotetrakis(trifluorophosphie)cobalt(I), Co H (P F3)4","Inorganic Chemistry","1970","9","","2403","2408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344179","5.1335","","5.1335","","10.588","","90","","90","","90","","279.024","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Li Yb F4","","- F4 Li Yb -","- F4 Li Yb -","- F16 Li4 Yb4 -","4","0.25","","Thoma, R.E.; Keenan, T.K.; Brunton, G.D.; Penneman, R.A.","Equilibrium Relations and Crystal Structure of Lithium Fluorolanthanate Phases","Inorganic Chemistry","1970","9","","1096","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344187","6.318","","7.108","","11.058","","90","","90","","90","","496.596","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (As O4) Cl","","- As Ca2 Cl O4 -","- As Ca2 Cl O4 -","- As4 Ca8 Cl4 O16 -","4","0.5","","Banks, E.; Greenblatt, M.; Post, B.","The crystal structures of synthetic spodiosites. Ca2 V O4 Cl and Ca2 As O4 Cl","Inorganic Chemistry","1970","9","","2259","2264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344188","6.311","","7.14","","11.052","","90","","90","","90","","498.009","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (V O4) Cl","","- Ca2 Cl O4 V -","- Ca2 Cl O4 V -","- Ca8 Cl4 O16 V4 -","4","0.5","","Banks, E.; Post, B.; Greenblatt, M.","The crystal structures of synthetic spodiosites. Ca2 V O4 Cl and Ca2 As O4 Cl","Inorganic Chemistry","1970","9","","2259","2264","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344189","7.812","","6.666","","20.577","","107.02","","90.52","","107.14","","973.762","","","","","","","","","","","","","5","P -1","-P 1","2","","((N H3)4 Co (Cl (N H2)) Co (N H3)4) Cl4 (H2 O)4","","- Cl5 Co2 H34 N9 O4 -","- Cl5 Co2 H32 N9 O4 -","- Cl10 Co4 H64 N18 O8 -","2","1","","Barro, R.; Marsh, R.E.; Schaefer, W.P.","The Crystal Structure of a dimeric Cobalt Compound Containing a Chloro Bridge","Inorganic Chemistry","1970","9","","2131","2137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344196","10.528","","13.219","","13.129","","90","","90","","90","","1827.16","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","(N H4)5 (Mo2 Cl9) H2 O","","- Cl9 H22 Mo2 N5 O -","- Cl9 H22 Mo2 N5 O -","- Cl36 H88 Mo8 N20 O4 -","4","0.5","","Brencic, J.V.; Cotton, F.A.","Stoichiometric and structural characterization of the compound (N H4)5 Mo2 Cl9 * H2 O","Inorganic Chemistry","1970","9","","346","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4344217","11.86","","11.86","","17.1","","90","","90","","90","","2405.28","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Yb11 Sb10","","- Sb10 Yb11 -","- Sb10 Yb11 -","- Sb40 Yb44 -","4","0.125","","Clark, H.L.; Simpson, H.D.; Steinfink, H.","The Crystal Structure of Yb11 Sb10","Inorganic Chemistry","1970","9","","1962","1964","","","","","","","","","","","","","","","","","","","","","","has coordinates","161038","2020-10-21","18:00:00",""
"4344220","12.625","","12.953","","10.141","","90","","90","","90","","1658.37","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs2 Re2 Br8","","- Br8 Cs2 Re2 -","- Br8 Cs2 Re2 -","- Br32 Cs8 Re8 -","4","0.5","","Cotton, F.A.; de Boer, B.G.; Jeremic, M.","Some Reactions of the Octahalodirhenate(III) Ions. VIII. Definitive Structural Characterization of the Octabromodirhenate(III) Ion","Inorganic Chemistry","1970","9","","2143","2146","","","","","","","","","","","","","","","","","","","","","","has coordinates","161056","2020-10-21","18:00:00",""
"4344271","11.79","","8.02","","10.31","","96","","99.07","","97.47","","946.697","","","","","","","","","","","","","4","P -1","-P 1","2","","N3 P3 (N C S)6","","- C6 N9 P3 S6 -","- C6 N9 P3 S6 -","- C12 N18 P6 S12 -","2","1","","Faught, J.B.; Moeller, T.; Paul, I.C.","The Crystal and Molecular Structure of Trimeric Phosphonitrilic Isothiocyanate","Inorganic Chemistry","1970","9","","1656","1660","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344293","5.849","","13.67","","16.75","","90","","100.83","","90","","1315.41","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B16 H20 -","- B16 H20 -","- B64 H80 -","4","1","","Friedman, L.B.; Cook, R.E.; Glick, M.D.","The Crystal and Molecular Structure of Hexadecaborane(20)","Inorganic Chemistry","1970","9","","1452","1458","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344306","7.65","","7.65","","10.94","","90","","90","","90","","640.236","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Xe F2 I F5","","- F7 I Xe -","- F7 I Xe -","- F28 I4 Xe4 -","4","0.25","","Jones, G.R.; Burbank, R.D.; Bartlett, N.","The Crystal Structure of the 1:1 Molecular Addition Compound Xenon Difluoride-Iodine Pentafluoride, Xe F2 I F5","Inorganic Chemistry","1970","9","","2264","2268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344324","8.5992","","8.5992","","8.5992","","90","","90","","90","","635.879","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Tm2.667 Se4","","- Se4 Tm2.667 -","- Se4 Tm2.667 -","- Se16 Tm10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","166195","2020-10-21","18:00:00",""
"4344325","8.6626","","8.6626","","8.6626","","90","","90","","90","","650.047","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Y2.667 Se4","","- Se4 Y2.667 -","- Se4 Y2.667 -","- Se16 Y10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","166198","2020-10-21","18:00:00",""
"4344326","8.615","","8.615","","8.615","","90","","90","","90","","639.39","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Yb2.667 Se4","","- Se4 Yb2.667 -","- Se4 Yb2.667 -","- Se16 Yb10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","166201","2020-10-21","18:00:00",""
"4344327","8.57","","8.57","","8.57","","90","","90","","90","","629.423","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Lu2.667 Se4 -","- Lu2.667 Se4 -","- Lu10.668 Se16 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-Pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344331","4.735","","9.209","","11.227","","90","","90","","90","","489.549","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K Te F5","","- F5 K Te -","- F5 K Te -","- F20 K4 Te4 -","4","0.5","","Mastin, S.H.; Ryan, R.R.; Asprey, L.B.","Crystal Structure of Potassium Pentafluorotellurate (K Te F5)","Inorganic Chemistry","1970","9","","2100","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344340","10.908","","10.9807","","6.4679","","107.594","","84.438","","112.465","","682.278","","","","","","","","","","","","","5","P -1","-P 1","2","","Na3 (Cr Mo6 O24 H6) (H2 O)8","","- Cr H22 Mo6 Na3 O32 -","- Cr Mo6 Na3 O32 -","- Cr Mo6 Na3 O32 -","1","0.5","","Perloff, A.","The Crystal Structure of Sodium Hexamolybdochromate(III) Octahydrate, Na3 (Cr Mo6 O24 H6) (H2 O)8","Inorganic Chemistry","1970","9","","2228","2239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344371","3.456","","3.456","","6.02","","90","","90","","120","","62.269","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li (Cr S2)","","- Cr Li S2 -","- Cr Li S2 -","- Cr Li S2 -","1","0.0833333","","White, J.G.; Pinch, H.L.","The crystal structure of lithium thiochromite, Li Cr S2","Inorganic Chemistry","1970","9","","2581","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""