# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-31T10:56:02+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 = 15 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
"4343554","9.523","","7.903","","9.294","","90","","114.15","","90","","638.25","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co3 (P O4)2 (H2 O)","","- Co3 H2 O9 P2 -","- Co3 O9 P2 -","- Co12 O36 P8 -","4","1","","Anderson, J.; Kostiner, E.; Ruszala, F.A.","Crystal structure of cobalt(II) orthophosphate monohydrate, Co3 (P O4)2 H2 O","Inorganic Chemistry","1976","15","","2744","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343569","10.622","","10.393","","8.722","","87.56","","95.59","","124.58","","788.891","","","","","","","","","","","","","5","P -1","-P 1","2","","(((Mn (C O)5)2 In)2 Cl2)","","- C20 Cl2 In2 Mn4 O20 -","- C20 Cl2 In2 Mn4 O20 -","- C20 Cl2 In2 Mn4 O20 -","1","0.5","","Haupt, H.J.; Wolfes, W.; Preut, H.","Single-crystal X-ray analysis of compounds with a covalent metal-metal bond. 5. Characterization of halogeno-bridged structures of three dimers of halogenobis (pentacarbonylmanganio) indium(III), ((Mn (C O)5)2 In (mue-X))2 (X= Cl, Br, I)","Inorganic Chemistry","1976","15","","2920","2927","","","","","","","","","","","","","","","","","","","","","","has coordinates","140780","2020-10-21","18:00:00",""
"4343570","10.634","","10.396","","8.823","","87.79","","95.33","","124.32","","801.981","","","","","","","","","","","","","5","P -1","-P 1","2","","((Mn (C O)5)2 In)2 Br2","","- C20 Br2 In2 Mn4 O20 -","- C20 Br2 In2 Mn4 O20 -","- C20 Br2 In2 Mn4 O20 -","1","0.5","","Haupt, H.J.; Preut, H.; Wolfes, W.","Single-crystal X-ray analysis of compounds with a covalent metal-metal bond. 5. Characterization of halogeno-bridged structures of three dimers of halogenobis (pentacarbonylmanganio) indium(III), ((Mn (C O)5)2 In (mue-X))2 (X= Cl, Br, I)","Inorganic Chemistry","1976","15","","2920","2927","","","","","","","","","","","","","","","","","","","","","","has coordinates","140782","2020-10-21","18:00:00",""
"4343571","10.649","","10.457","","9.073","","87.67","","95.07","","123.79","","836.344","","","","","","","","","","","","","5","P -1","-P 1","2","","((Mn (C O)5)2 In)2 I2","","- C20 I2 In2 Mn4 O20 -","- C20 I2 In2 Mn4 O20 -","- C20 I2 In2 Mn4 O20 -","1","0.5","","Haupt, H.J.; Wolfes, W.; Preut, H.","Single-crystal x-ray analysis of compounds with a covalent metal-metal bond. 5. Characterization of halogeno-bridged structures of three dimers of halogenobis (pentacarbonylmanganio) indium(III), ((Mn (C O)5)2 In (mue-X))2 (X= Cl, Br, I)","Inorganic Chemistry","1976","15","","2920","2927","","","","","","","","","","","","","","","","","","","","","","has coordinates","140784","2020-10-21","18:00:00",""
"4343589","8.588","","8.588","","11.918","","90","","90","","120","","761.234","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Xe (O Se F5)2","","- F10 O2 Se2 Xe -","- F9.99 O1.998 Se2 Xe -","- F29.97 O5.994 Se6 Xe3 -","3","0.0833333","","Templeton, L.K.; Templeton, D.H.; Seppelt, K.; Bartlett, N.","Crystal and molecular structure of xenon bis (oxopentafluoroselenate(VI) Xe (O Se F5)2","Inorganic Chemistry","1976","15","","2718","2720","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343590","10.3","","16.61","","9.98","","90","","114.14","","90","","1558.09","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","U (O Te F5)6","","- F30 O6 Te6 U -","- F30 O6 Te6 U -","- F60 O12 Te12 U2 -","2","0.25","","Templeton, L.K.; Templeton, D.H.; Seppelt, K.; Bartlett, N.","Crystal and molecular structure of uranium hexakis(oxopentafluoro-tellurate), U (O Te F5)6","Inorganic Chemistry","1976","15","","2720","2722","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343592","7.248","","7.248","","7.248","","90","","90","","90","","380.763","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Yb2 Ru H6","","- H6 Ru Yb2 -","- Ru Yb2 -","- Ru4 Yb8 -","4","0.0208333","","Lindsay, R.; Moyer, R.O.; Thompson, J.; Kuhn, D.","Preparation, structure, and properties of ytterbium ruthenium hydride","Inorganic Chemistry","1976","15","","3050","3053","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344307","7.176","","7.051","","10.453","","90","","103.96","","90","","513.279","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sn2 (O H) P O4","","- H O5 P Sn2 -","- O5 P Sn2 -","- O20 P4 Sn8 -","4","1","","Jordan, T.H.; Schroeder, L.W.; Dickens, B.; Brown, W.E.","Crystal Structure of Stannous Hydroxide Phosphate, a Reaction Product of Stannous Fluoride and Apatite","Inorganic Chemistry","1976","15","","1810","1814","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344342","10.323","","9.285","","11.865","","77.31","","114.85","","73.84","","914.257","","","","","","","","","","","","","6","P -1","-P 1","2","","K1.75 Pt (C N)4 (H2 O)1.5","","- C4 H3 K1.75 N4 O1.5 Pt -","- C4 H3 K1.75 N4 O1.5 Pt -","- C16 H12 K7 N16 O6 Pt4 -","4","2","","Reis, A.H.jr.; Peterson, S.W.; Miller, J.S.; Washecheck, D.M.","The Nature of the Pt Chain Distortion in the Partially Oxidized One-Dimensional Complex, K1.75 Pt (C N)4 (H2 O)1.5","Inorganic Chemistry","1976","15","","2455","2462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344508","16.591","","12.455","","17.214","","90","","108.1","","90","","3381.09","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Br2 Sn2 (Mn (C O)5)4","","- C20 Br2 Mn4 O20 Sn2 -","- C20 Br2 Mn4 O20 Sn2 -","- C80 Br8 Mn16 O80 Sn8 -","4","1","","Spek, A.L.; Bos, K.D.; Noltes, J.G.; Bulten, E.J.","Crystal and molecular structure of 1.1.2.2-tetrakis(pentacarbonyl-manganio)-1.2-dibromoditin, a transition metal substituted di-Tin-compound","Inorganic Chemistry","1976","15","","339","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","173049","2020-10-21","18:00:00",""
"4344509","7.337","","8.545","","36.03","","90","","91.52","","90","","2258.09","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Te2 Se8 (As F6)2) (S O2)","","- As2 F12 O2 S Se8 Te2 -","- As2 F12 O2 S Se8 Te2 -","- As8 F48 O8 S4 Se32 Te8 -","4","1","","Boldrini, P.; Ireland, P.R.; Brown, I.; Luk, W.C.; Gillespie, R.J.; Slim, D.R.; Vekris, J.E.","Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2 and tetratellurium hexaselenium- bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2","Inorganic Chemistry","1976","15","","765","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344510","9.217","","6.498","","19.719","","90","","97.69","","90","","1170.39","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B13 H19 -","- B13 H19 -","- B52 H76 -","4","1","","Huffman, J.C.; Moody, D.C.; Schaeffer, R.","Studies of boranes. XLV. Crystal and molecular structure, improved synthesis, and reactions of tridecaborane(19)","Inorganic Chemistry","1976","15","","227","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344511","14.84","","10.828","","13.345","","90","","90","","90","","2144.38","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Te3.66 Se6.22 (As F6)2","","- As2 F12 Se6.22 Te3.66 -","- As2 F12 Se6.22 Te3.66 -","- As8 F48 Se24.88 Te14.64 -","4","0.5","","Boldrini, P.; Brown, I.; Vekris, J.E.; Ireland, P.R.; Gillespie, R.J.; Slim, D.R.; Luk, W.C.","Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2, and tetratellurium hexaselenium bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2","Inorganic Chemistry","1976","15","","765","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","173163","2020-10-21","18:00:00",""
"4344523","13.426","","11.848","","6.956","","90","","90","","90","","1106.5","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","K2 (Pt (C N)4) (H2 O)3","","- C4 H6 K2 N4 O3 Pt -","- C4 H6 K2 N4 O3 Pt -","- C16 H24 K8 N16 O12 Pt4 -","4","0.5","","Washecheck, D.M.; Reis, A.H.jr.; Peterson, S.; Williams, J.M.","Crystal and molecular structure by neutron diffraction of potassium tetracyanoplatinate(II) trihydrate, the starting product for partially oxidized conducting cyanoplatinate salts","Inorganic Chemistry","1976","15","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344526","8.747","","8.747","","8.167","","90","","90","","90","","624.857","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","(V O) (Si P2 O8)","","- O9 P2 Si V -","- O9 P2 Si V -","- O36 P8 Si4 V4 -","4","0.25","","Rice, C.E.; Robinson, W.R.; Tofield, B.C.","Crystal structure of a condensed phosphatosilicate, oxovanadium(IV)-diphosphatomonosilicate, V O (Si P2 O8)","Inorganic Chemistry","1976","15","","345","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344530","9.436","","6.338","","7.679","","90","","115.8","","90","","413.467","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na Zn2 (O H) (Mo O4)2 (H2 O)","","- H3 Mo2 Na O10 Zn2 -","- Mo2 Na O10 Zn2 -","- Mo4 Na2 O20 Zn4 -","2","0.25","","Clearfield, A.; Sims, M.; Gopal, R.","Studies in heavy-metal molybdates. I. Crystal structure of a basic zinc molybdate, Na Zn2 O H (H2 O) (Mo O4)2","Inorganic Chemistry","1976","15","","335","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9009891","10.926","","10.855","","10.79","","90","","95.92","","90","","1272.89","","","","","","","","","","","","Synthetic","1","P 1 21/c 1","-P 2ybc","14","Sulfur-(beta)","","Sulphur","- S8 -","- S8 -","- S48 -","6","1.5","","Templeton, L. K.; Templeton, D. H.; Zalkin, A.","Crystal structure of monoclinic sulfur Note: this is known as the beta phase of sulfur","Inorganic Chemistry","1976","15","","1999","2001","10.1021/ic50162a059","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9013466","9.46","","10.024","","8.67","","90","","90","","90","","822.15","","","","","","","","","","","","Synthetic","4","P b n a","-P 2ac 2b","60","","","Phosphoferrite","- Fe3 H6 O11 P2 -","- Fe3 H6 O11 P2 -","- Fe12 H24 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.","A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2","Inorganic Chemistry","1976","15","","316","321","10.1021/ic50156a015","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013467","9.518","","9.749","","8.031","","90","","90","","90","","745.204","","","","","","","","","","","","Synthetic","4","P b n a","-P 2ac 2b","60","","","Kryzhanovskite","- Fe3 H3 O11 P2 -","- Fe3 H3 O11 P2 -","- Fe12 H12 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.","A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Note: this sample was synthesized by heating phosphoferrite in air","Inorganic Chemistry","1976","15","","316","321","10.1021/ic50156a015","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""