# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-30T23:39:57+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 'Journal of Solid State Chemistry') AND volume = 56 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
"1000204","7.318","0.002","17.311","0.004","5.398","0.001","90","","91.14","0.03","90","","683.7","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium dichromium(III) nonafluoride","","- Ba Cr2 F9 Na -","- Ba Cr2 F9 Na -","- Ba4 Cr8 F36 Na4 -","4","1","","Ferey, G; Leblanc, M; Kozak, A; Samouel, M; Pannetier, J","Crystal structures of Na Ba Cr~2~ F~9~ and Na Ba Fe~2~ F~9~ Structural correlations with other enneafluorides, particularly with K Pb Cr~2~ F~9~","Journal of Solid State Chemistry","1985","56","","288","297","10.1016/0022-4596(85)90178-1","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000205","7.363","0.002","17.527","0.004","5.484","0.001","90","","91.5","0.05","90","","707.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium diferrous(III) nonafluoride","","- Ba F9 Fe2 Na -","- Ba F9 Fe2 Na -","- Ba4 F36 Fe8 Na4 -","4","1","","Ferey, G; Leblanc, M; Kozak, A; Samouel, M; Pannetier, J","Crystal structures of Na Ba Cr~2~ F~9~ and Na Ba Fe~2~ F~9~ Structural correlations with other enneafluorides, particularly with K Pb Cr~2~ F~9~","Journal of Solid State Chemistry","1985","56","","288","297","10.1016/0022-4596(85)90178-1","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001331","13.061","0.001","12.319","0.001","5.296","0.0005","90","","90","","90","","852.1","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Caesium tungsten diphosphate oxide (1/8/4/12)","","- Cs O40 P8 W8 -","- Cs O40 P8 W8 -","- Cs O40 P8 W8 -","1","0.125","","Goreaud, M; Labbe, P; Raveau, B","Cs P~8~ W~8~ O~40~: A diphosphate tungsten bronze with octagonal tunnels","Journal of Solid State Chemistry","1985","56","","41","48","10.1016/0022-4596(85)90250-6","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008841","5.892","0.0001","5.892","0.0001","23.183","0.001","90","","90","","120","","697","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium dodecairon(III) oxide","","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Obradors, X; Collomb, A; Pernet, M; Samaras, D; Joubert, J C","X-ray analysis of the structural and dynamic properties of Ba Fe12 O19 hexagonal ferrite at room temperature","Journal of Solid State Chemistry","1985","56","","171","181","10.1016/0022-4596(85)90054-4","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1529774","7.111","","19.625","","4.13","","90","","90","","90","","576.355","","","","","","","","","","","","","3","P b m m","-P 2 2b","51","","U5 O12 Cl","","- Cl O12 U5 -","- Cl O12 U5 -","- Cl2 O24 U10 -","2","0.25","","Cordfunke, E.H.P.; van Vlaanderen, P.; Loopstra, B.O.; Goubitz, K.","Pentauranium(V) Chloride Dodecaoxide U5 O12 Cl","Journal of Solid State Chemistry","1985","56","","166","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529779","9.7899","","9.7899","","6.1605","","90","","90","","90","","590.436","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I8 Li8 O24 -","8","1","","Crettez, J.M.; Coquet, E.; Pannetier, J.; Bouillot, J.; Durand-Le Floch, M.","Neutron structure refinement of gamma- and beta-lithium: Comparison between alpha, gamma, and beta phases","Journal of Solid State Chemistry","1985","56","","133","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529780","9.4039","","5.8539","","5.2915","","90","","90","","90","","291.294","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I4 Li4 O12 -","4","1","","Crettez, J.M.; Coquet, E.; Pannetier, J.; Bouillot, J.; Durand-Le Floch, M.","Neutron structure refinement of gamma- and beta-lithium: Comparison between alpha, gamma, and beta phases","Journal of Solid State Chemistry","1985","56","","133","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529915","9.112","","9.68","","11.62","","72.15","","110.82","","110.13","","879.449","","","","","","","","","","","","","3","P -1","-P 1","2","","V2 P4 S13","","- P4 S13 V2 -","- P4 S13 V2 -","- P8 S26 V4 -","2","1","","Evain, M.; Brec, R.; Ouvrard, G.; Rouxel, J.","Synthesis and structure determination of a new layered compound: V2 P4 S13","Journal of Solid State Chemistry","1985","56","","12","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","154827","2020-10-21","18:00:00",""
"1529916","15.5711","","15.5711","","13.6516","","90","","90","","90","","3309.96","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Ta4 P4 S29","","- P4 S29 Ta4 -","- P4 S29 Ta4 -","- P16 S116 Ta16 -","4","0.5","","Evain, M.; Queignec, M.; Rouxel, J.; Brec, R.","Ta4 P4 S29: A new tunnel structure with inserted polymeric sulfur","Journal of Solid State Chemistry","1985","56","","148","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","154828","2020-10-21","18:00:00",""
"1530067","7.57","","7.57","","6.32","","90","","90","","120","","313.646","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs V Br3","","- Br3 Cs V -","- Br3 Cs V -","- Br6 Cs2 V2 -","2","0.0833333","","Hauser, A.; Guedel, H.U.; Fischer, P.; Falk, U.","Magnetic Order in A V X3 (A=Rb, Cs,(C D3)4 N; X=Cl, Br,I): A Neutron Diffraction Study","Journal of Solid State Chemistry","1985","56","","343","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530068","7.051","","7.051","","5.985","","90","","90","","120","","257.689","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb V Cl3","","- Cl3 Rb V -","- Cl3 Rb V -","- Cl6 Rb2 V2 -","2","0.0833333","","Hauser, A.; Falk, U.; Fischer, P.; Guedel, H.U.","Magnetic Order in A V X3 (A=Rb, Cs, (C D3)4 N; X=Cl, Br, I): A Neutron Diffraction Study","Journal of Solid State Chemistry","1985","56","","343","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530069","7.408","","7.408","","6.28","","90","","90","","120","","298.464","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb V Br3","","- Br3 Rb V -","- Br3 Rb V -","- Br6 Rb2 V2 -","2","0.0833333","","Hauser, A.; Fischer, P.; Falk, U.; Guedel, H.U.","Magnetic order in A V X3 (A= Rb, Cs, (C D3)4 N; X= Cl, Br, I): A neutron diffraction study","Journal of Solid State Chemistry","1985","56","","343","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530070","7.187","","7.187","","5.989","","90","","90","","120","","267.905","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs V Cl3","","- Cl3 Cs V -","- Cl3 Cs V -","- Cl6 Cs2 V2 -","2","0.0833333","","Hauser, A.; Falk, U.; Fischer, P.; Guedel, H.U.","Magnetic Order in A V X3 (A=Rb, Cs, (C D3)4 N; X=Cl, Br, I): A Neutron Diffraction Study","Journal of Solid State Chemistry","1985","56","","343","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530071","12.746","","12.746","","6.248","","90","","90","","120","","879.062","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Rb V Br3","","- Br3 Rb V -","- Br3 Rb V -","- Br18 Rb6 V6 -","6","0.5","","Hauser, A.; Falk, U.; Fischer, P.; Guedel, H.U.","Magnetic order in A V X3 (A= Rb, Cs, (C D3)4 N; X= Cl, Br, I): A neutron diffraction study","Journal of Solid State Chemistry","1985","56","","343","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530855","6.909","","6.909","","49.25","","90","","90","","120","","2035.95","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba2 Nb S4 (S2)0.5","","- Ba2.08 Nb S5.07104 -","- Ba2.08 Nb S5.07104 -","- Ba20.8 Nb10 S50.7104 -","10","0.416667","","Swinnea, J.S.; Steinfink, H.; Rendon-Diazmiron, L.E.; Banos-Lopez, L.","Crystal Chemistry of the Ba-Nb-S System: A Layer Structure of Approximate Composition Ba2 Nb S4 (S2)0.5","Journal of Solid State Chemistry","1985","56","","249","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546477","6.379","0.002","8.921","0.002","13.462","0.003","79.95","0.02","76.33","0.03","71.03","0.03","700","0.3","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- H9 O9 P V -","- O9 P V -","- O36 P4 V4 -","4","2","","Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M.","Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O","Journal of Solid State Chemistry","1985","56","","370","378","","","x-ray","0.71069","MoKα","","","0.058","","","0.065","","","","","","","","","","","has coordinates","198461","2020-10-21","18:00:00",""
"1546478","7.42","0.001","9.609","0.002","5.6931","0.0007","90","","90","","90","","405.91","0.11","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- H2 O5.5 P V -","- H O5.5 P V -","- H4 O22 P4 V4 -","4","0.5","","Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M.","Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O","Journal of Solid State Chemistry","1985","56","","370","378","","","x-ray","0.71069","MoKα","","","0.041","","","0.042","","","","","","","","","","","has coordinates","198462","2020-10-21","18:00:00",""