# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-06T13:51:00+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 Solid State Chemistry') AND volume = 44 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
"1001227","5.796","0.002","5.796","0.002","9.466","0.005","90","","90","","120","","275.4","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","DILITHIUM DICHROMIUM ALUMINIUM ANTIMONY(V) OXIDE","","- Al Cr2 Li2 O8 Sb -","- Al0.9999 Cr2.0001 Li2 O8 Sb -","- Al1.9998 Cr4.0002 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001228","5.703","0.002","5.703","0.002","9.392","0.005","90","","90","","120","","264.5","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","DILITHIUM CHROMIUM DIALUMINIUM ANTIMONY(V) OXIDE","","- Al2 Cr Li2 O8 Sb -","- Al2.0001 Cr0.9999 Li2 O8 Sb -","- Al4.0002 Cr1.9998 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001229","5.867","0.002","5.867","0.002","9.542","0.005","90","","90","","120","","284.4","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","DILITHIUM DICHROMIUM IRON(III) ANTIMONY(V) OXIDE","","- Cr2 Fe Li2 O8 Sb -","- Cr2.0001 Fe0.9999 Li2 O8 Sb -","- Cr4.0002 Fe1.9998 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001230","5.923","0.002","5.923","0.002","9.641","0.005","90","","90","","120","","292.9","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","DILITHIUM TRIIRON(III) ANTIMONY(V) OXIDE","","- Fe3 Li2 O8 Sb -","- Fe3 Li2 O8 Sb -","- Fe6 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001231","8.398","0.004","8.398","0.004","8.398","0.004","90","","90","","90","","592.3","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","DILITHIUM DICHROMIUM IRON(III) ANTIMONY(V) OXIDE","","- Cr2 Fe Li2 O8 Sb -","- Cr1.9998 Fe1.0002 Li1.9998 O8 Sb1.0002 -","- Cr7.9992 Fe4.0008 Li7.9992 O32 Sb4.0008 -","4","0.0208333","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001232","8.425","0.004","8.425","0.004","8.425","0.004","90","","90","","90","","598","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","DILITHIUM TRIIRON(III) ANTIMONY(V) OXIDE","","- Fe3 Li2 O8 Sb -","- Fe3 Li1.9998 O8 Sb1.0002 -","- Fe12 Li7.9992 O32 Sb4.0008 -","4","0.0208333","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001233","6.6702","0.0005","5.3228","0.0008","8.9091","0.0008","90","","100.546","0.007","90","","311","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Potassium phosphorus tungsten oxide (.4/2/4/16)","","- K0.4 O16 P2 W4 -","- K0.42 O16 P2 W4 -","- K0.42 O16 P2 W4 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","K~x~ P~2~ W~2~ O~16~: A Bronze with a Tunnel Structure Built up from P O~4~ Tetrahedra and W O~6~ Octahedra","Journal of Solid State Chemistry","1982","44","","407","414","10.1016/0022-4596(82)90389-9","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001234","6.5656","0.0025","5.285","0.0015","20.573","0.015","90","","96.18","0.04","90","","709.7","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Phosphorus tungsten oxide (4/10/38)","","- O38 P4 W10 -","- O38 P4 W10 -","- O38 P4 W10 -","1","0.5","","Benmoussa, A; Labbe, P; Groult, D; Raveau, B","Mixed Valence Tungsten Oxides with a Tunnel Structure, P~4~ W~4n~ O~12n+8~: A Nonintegral Member P~4~ W~10~ O~38~ (n=2.5)","Journal of Solid State Chemistry","1982","44","","318","325","10.1016/0022-4596(82)90379-6","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008195","5.552","0.001","7.126","0.001","32.233","0.006","66.94","0.01","57.08","0.01","108.51","0.02","716","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (6/11)","","- O11 Ti6 -","- O11 Ti6 -","- O44 Ti24 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008196","5.537","0.001","7.132","0.001","38.151","0.008","66.7","0.01","57.12","0.01","108.5","0.02","841.4","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (7/13)","","- O13 Ti7 -","- O13 Ti7 -","- O52 Ti28 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008197","5.526","0.001","7.133","0.001","44.059","0.006","66.54","0.01","57.18","0.01","108.51","0.01","966.9","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (8/15)","","- O15 Ti8 -","- O15 Ti8 -","- O60 Ti32 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008198","5.524","0.001","7.142","0.001","50.03","0.01","66.41","0.01","57.2","0.01","108.53","0.01","1094.7","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (9/17)","","- O17 Ti9 -","- O17 Ti9 -","- O68 Ti36 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1537701","4.9561","","4.9561","","13.998","","90","","90","","120","","297.767","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.0125 V0.9875)2 O3","","- Cr0.025 O3 V1.975 -","- Cr0.025 O3 V1.975 -","- Cr0.15 O18 V11.85 -","6","0.166667","","Chen, S.; Hahn, J.E.; Rice, C.E.; Robinson, W.R.","The effects of titanium or chromium doping on the crystal structure of V2 O3","Journal of Solid State Chemistry","1982","44","","192","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","166011","2020-10-21","18:00:00",""
"1546417","9.4048","0.0005","9.4048","0.0005","5.4253","0.0003","90","","90","","120","","415.58","0.04","","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cl3 La3 O6 W -","- Cl3 La3 O6 W -","- Cl6 La6 O12 W2 -","2","0.166667","","Brixner, L. H.; Chen, H. Y.; Foris, C. M.","Structure and luminescence of some rare earth halotungstates of the type Ln3WO6Cl3","Journal of Solid State Chemistry","1982","44","","99","107","","","x-ray","0.71069","MoKα","","","0.028","","","0.036","","","","","","","","","","","has coordinates","198200","2020-10-21","18:00:00",""
"9012185","16.962","","16.962","","9.6664","","90","","90","","120","","2408.52","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Tveitite-(Y)","- Ca6.5 F21.5 Y3 -","- Ca6.5 F21.5 Y3 -","- Ca39 F129 Y18 -","6","0.333333","","Bevan, D. J. M.; Strahle, J.; Greis, O.","The crystal structure of tveitite, an ordered yttrofluorite mineral Note: a and b adjusted to match reported bond lengths","Journal of Solid State Chemistry","1982","44","","75","81","10.1016/0022-4596(82)90402-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""