# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T03:12:55+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 = 21 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
"1004037","10.965","0.001","10.965","0.001","10.965","0.001","90","","90","","90","","1318.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium bismuth oxide hydroxide *","","- Bi2.37 H1.9 K1.14 O6.8 -","- Bi2.37 H3.7998 K1.14 O6.8 -","- Bi18.96 H30.3984 K9.12 O54.4 -","8","0.0416667","","Trehoux, J; Abraham, F; Thomas, D","Etude structurale d'un pyrochlore non stoechiometrique et desordonne contenant Bi(III) et Bi(V)","Journal of Solid State Chemistry","1977","21","","203","209","10.1016/0022-4596(77)90197-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509759","16.76","","15.52","","11.81","","90","","103.9","","90","","2982","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ag26 I18 (W O4)4","","- Ag26 I18 O16 W4 -","- Ag26 I18 O16 W4 -","- Ag52 I36 O32 W8 -","2","0.5","","Chan, L.Y.Y.; Geller, S.","Crystal structure and conductivity of 26-silver 18-iodide tetratungstate, Ag26 I18 W4 O16","Journal of Solid State Chemistry","1977","21","","331","347","10.1016/0022-4596(77)90131-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1527144","3.997","","16.485","","11.394","","90","","90","","90","","750.757","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","La2 Fe2 S5","","- Fe2 La2 S5 -","- Fe2 La2 S5 -","- Fe8 La8 S20 -","4","0.5","","Besrest, F.; Collin, G.","Structure de La2 Fe2 S5 et de La2 Fe1.87 S5","Journal of Solid State Chemistry","1977","21","","161","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","148509","2020-10-21","18:00:00",""
"1527145","3.9996","","49.508","","11.308","","90","","90","","90","","2239.12","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","La2 Fe1.87 S5","","- Fe1.87 La2 S5 -","- Fe1.87333 La2 S5 -","- Fe22.48 La24 S60 -","12","1.5","","Besrest, F.; Collin, G.","Structure de La2 Fe2 S5 et de La2 Fe1.87 S5","Journal of Solid State Chemistry","1977","21","","161","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","148510","2020-10-21","18:00:00",""
"1527252","5.602","","5.602","","22.73399","","90","","90","","120","","617.863","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K2.59 O (Al1.987 O3)11","","- Al21.857 K2.59 O34 -","- Al21.8596 K2.5902 O33.9998 -","- Al21.8596 K2.5902 O33.9998 -","1","0.0416667","","Collin, G.; Boilot, J.P.; Kahn, A.; Comes, R.; Thery, J.","Structural investigation of K+ and Tl+ beta-aluminas","Journal of Solid State Chemistry","1977","21","","283","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","148708","2020-10-21","18:00:00",""
"1527253","5.596","","5.596","","22.91199","","90","","90","","120","","621.368","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tl2.47 O (Al2 O3)11","","- Al22 O34 Tl2.47 -","- Al22 O34 Tl2.4702 -","- Al22 O34 Tl2.4702 -","1","0.0416667","","Collin, G.; Boilot, J.P.; Kahn, A.; Thery, J.; Comes, R.","Structural investigation of K+ and Tl+ beta-aluminas","Journal of Solid State Chemistry","1977","21","","283","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","148709","2020-10-21","18:00:00",""
"1527482","10.108","","10.108","","8.638","","90","","90","","120","","764.318","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Ba3 Pt2.07 O7.11","","- Ba3 O7.11 Pt2.07 -","- Ba3 O7.11 Pt2.075 -","- Ba12 O28.44 Pt8.3 -","4","0.333333","","Haradem, P.S.; Chamberland, B.L.; Gleizes, A.; Katz, L.","A structural model for barium platinum oxide, Ba3 Pt2 O7","Journal of Solid State Chemistry","1977","21","","217","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","149079","2020-10-21","18:00:00",""
"1527513","9.002","","6.7086","","24.658","","91.49","","105.1","","90.74","","1436.92","","","","","","","","","","","","","3","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Ba4 Fe2 S6 (S.6667 (S2).3333)","","- Ba4 Fe2 S7.3333 -","- Ba4 Fe2 S7.333 -","- Ba16 Fe8 S29.332 -","4","","","Hoggins, J.T.; Steinfink, H.; Rendon-Diazmiron, L.E.","Crystal structure, Moessbauer, and magnetic behavior of mixed valence compounds in the Ba-Fe-S system: Ba3 (Ba1-x Alx) Fe2 S6 (S1-y (S2)y)","Journal of Solid State Chemistry","1977","21","","79","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527514","8.993","","6.78","","24.7","","91.11","","105.04","","90.9","","1453.82","","","","","","","","","","","","","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Ba3 (Ba0.6 Al0.4) Fe2 S6 (S0.6 (S2)0.4)","","- Al0.4 Ba3.6 Fe2 S7.4 -","- Al0.4 Ba3.6 Fe2 S7.4 -","- Al1.6 Ba14.4 Fe8 S29.6 -","4","","","Hoggins, J.T.; Rendon-Diazmiron, L.E.; Steinfink, H.","Crystal structure, Moessbauer, and magnetic behavior of mixed valence compounds in the Ba-Fe-S system: Ba3 (Ba1-x Alx) Fe2 S6 (S1-y (S2)y)","Journal of Solid State Chemistry","1977","21","","79","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527549","5.362","","5.4079","","16.742","","90","","90","","90","","485.47","","","","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","","","- Gd P S -","- Gd P S -","- Gd8 P8 S8 -","8","1","","Hulliger, F.; Schmelczer, R.; Schwarzenbach, D.","The GdPS structure, a new PbFCl-type derivative","Journal of Solid State Chemistry","1977","21","","371","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527968","8.799","","7.555","","11.607","","90","","78.56","","90","","756.263","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ba Cs2 Fe (C N)6 (H2 O)2","","- C6 H4 Ba Cs2 Fe N6 O2 -","- C6 H4 Ba Cs2 Fe N6 O2 -","- C12 H8 Ba2 Cs4 Fe2 N12 O4 -","2","0.5","","Rafalko, J.J.; Swanson, B.I.; Beall, G.W.","Lattice instabilities in Cs2 M Fe (C N)6 (M = Mg(2+) , Ca(2+) , and Sr(2+) ): The crystal structure of Cs2 Ba Fe (C N)6 (H2 O)2","Journal of Solid State Chemistry","1977","21","","195","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527986","5.1549","","5.1549","","13.627","","90","","90","","120","","313.597","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.995 V0.005)2 O3","","- O3 Ti1.99 V0.01 -","- O3 Ti1.99 V0.01 -","- O18 Ti11.94 V0.06 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","149821","2020-10-21","18:00:00",""
"1527987","5.1417","","5.1417","","13.686","","90","","90","","120","","313.343","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.98 V0.02)2 O3","","- O3 Ti1.96 V0.04 -","- O3 Ti1.96 V0.04 -","- O18 Ti11.76 V0.24 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","149822","2020-10-21","18:00:00",""
"1527988","5.1255","","5.1255","","13.734","","90","","90","","120","","312.464","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.96 V0.04)2 O3","","- O3 Ti1.92 V0.08 -","- O3 Ti1.92 V0.08 -","- O18 Ti11.52 V0.48 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","149823","2020-10-21","18:00:00",""
"1527989","5.109","","5.109","","13.812","","90","","90","","120","","312.219","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.93 V0.07)2 O3","","- O3 Ti1.86 V0.14 -","- O3 Ti1.86 V0.14 -","- O18 Ti11.16 V0.84 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","149824","2020-10-21","18:00:00",""
"1527990","5.0539","","5.0539","","13.953","","90","","90","","120","","308.64","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.7 V0.3)2 O3","","- O3 Ti1.4 V0.6 -","- O3 Ti1.4 V0.6 -","- O18 Ti8.4 V3.6 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","149825","2020-10-21","18:00:00",""
"1527991","5.0174","","5.0174","","13.993","","90","","90","","120","","305.07","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.5 V0.5)2 O3","","- O3 Ti V -","- O3 Ti V -","- O18 Ti6 V6 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527992","4.9968","","4.9968","","13.996","","90","","90","","120","","302.635","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.3 V0.7)2 O3","","- O3 Ti0.6 V1.4 -","- O3 Ti0.6 V1.4 -","- O18 Ti3.6 V8.4 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes in the solid solution (Ti1-x Vx)2 O3 as x varies from zero to one","Journal of Solid State Chemistry","1977","21","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","149827","2020-10-21","18:00:00",""
"1527993","5.1589","","5.1589","","13.616","","90","","90","","120","","313.83","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.9962 Sc0.0038)2 O3","","- O3 Sc0.0076 Ti1.9924 -","- O3 Sc0.0076 Ti1.9924 -","- O18 Sc0.0456 Ti11.9544 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes resulting from doping Ti2 O3 with Sc2 O3 or Al2 O3","Journal of Solid State Chemistry","1977","21","","155","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","149828","2020-10-21","18:00:00",""
"1527994","5.1526","","5.1526","","13.609","","90","","90","","120","","312.903","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ti0.99 Al0.01)2 O3","","- Al0.02 O3 Ti1.98 -","- Al0.02 O3 Ti1.98 -","- Al0.12 O18 Ti11.88 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes resulting from doping Ti2 O3 with Sc2 O3 or Al2 O3","Journal of Solid State Chemistry","1977","21","","155","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","149829","2020-10-21","18:00:00",""
"9012132","2.985","","2.985","","13.48","","90","","90","","120","","104.018","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Grimaldiite","- Cr D O2 -","- Cr D O2 -","- Cr3 D3 O6 -","3","0.0833333","","Christensen, A. N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1977","21","","325","329","10.1016/0022-4596(77)90130-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012133","2.985","","2.985","","13.48","","90","","90","","120","","104.018","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","Grimaldiite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr3 D3 O6 -","3","0.166667","","Christensen, A. N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1977","21","","325","329","10.1016/0022-4596(77)90130-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012134","2.979","","2.979","","13.37","","90","","90","","120","","102.755","","","","300","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Grimaldiite","- Cr H O2 -","- Cr H O2 -","- Cr3 H3 O6 -","3","0.0833333","","Christensen, A. N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Sample: T = 300 K","Journal of Solid State Chemistry","1977","21","","325","329","10.1016/0022-4596(77)90130-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012135","2.979","","2.979","","13.37","","90","","90","","120","","102.755","","","","300","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","Grimaldiite","- Cr H O2 -","- Cr H O2 -","- Cr3 H3 O6 -","3","0.166667","","Christensen, A. N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Sample: T = 300 K","Journal of Solid State Chemistry","1977","21","","325","329","10.1016/0022-4596(77)90130-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""