# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-08T13:22:04+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 = 69 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
"1000413","14.13","0.005","14.13","0.005","14.13","0.005","90","","90","","90","","2821.2","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoroferrate(III)","","- C3 H18 F6 Fe N9 -","- C3 H18 F6 Fe N9 -","- C24 H144 F48 Fe8 N72 -","8","0.333333","","Fourquet, J L; Plet, F; Calage, Y; DePape, R","Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6","Journal of Solid State Chemistry","1987","69","","76","80","10.1016/0022-4596(87)90012-0","","","","","","0.0409","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1530514","12.983","","5.518","","9.591","","90","","89.94","","90","","687.101","","","","","","","","","","","","","3","A 1 2 1","A 2y","5","","Na0.9 Mo6 O17","","- Mo6 Na0.9 O17 -","- Mo6 Na0.899 O17 -","- Mo12 Na1.798 O34 -","2","0.5","","Onoda, M.; Masuda, Y.; Sato, M.","Structure determination of low-dimensional conductor sodium molybdenum purple bronze Na.9 Mo6 O17","Journal of Solid State Chemistry","1987","69","","67","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530827","7.3255","","7.3255","","17.513","","90","","90","","120","","813.89","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Mo2 Cl9","","- Cl9 Cs3 Mo2 -","- Cl9 Cs3 Mo2 -","- Cl18 Cs6 Mo4 -","2","0.0833333","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156042","2020-10-21","18:00:00",""
"1530828","7.1351","","7.1351","","16.9926","","90","","90","","120","","749.188","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(N H4)3 Mo2 Cl9","","- Cl9 H12 Mo2 N3 -","- Cl9 H12 Mo2 N3 -","- Cl18 H24 Mo4 N6 -","2","0.0833333","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530829","7.1622","","7.1622","","17.015","","90","","90","","120","","755.885","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb3 Mo2 Cl9","","- Cl9 Mo2 Rb3 -","- Cl9 Mo2 Rb3 -","- Cl18 Mo4 Rb6 -","2","0.0833333","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156044","2020-10-21","18:00:00",""
"1530830","7.5217","","7.5217","","17.93","","90","","90","","120","","878.502","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb3 Mo2 Br9","","- Br9 Mo2 Rb3 -","- Br9 Mo2 Rb3 -","- Br18 Mo4 Rb6 -","2","0.0833333","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156045","2020-10-21","18:00:00",""
"1530831","7.6296","","7.6296","","18.365","","90","","90","","120","","925.817","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Mo2 Br9","","- Br9 Cs3 Mo2 -","- Br9 Cs3 Mo2 -","- Br18 Cs6 Mo4 -","2","0.0833333","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156046","2020-10-21","18:00:00",""
"1530832","8.137","","8.137","","19.619","","90","","90","","120","","1124.96","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Mo2 I9","","- Cs3 I9 Mo2 -","- Cs3 I9 Mo2 -","- Cs6 I18 Mo4 -","2","0.0833333","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156047","2020-10-21","18:00:00",""
"1530833","7.384","","7.384","","17.093","","90","","90","","120","","807.109","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 W2 Cl9","","- Cl9 Cs3 W2 -","- Cl9 Cs3 W2 -","- Cl18 Cs6 W4 -","2","0.0833333","","Stranger, R.; Smith, P.W.; Grey, I.E.; Madsen, I.C.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156048","2020-10-21","18:00:00",""
"1530834","7.0989","","7.0989","","16.623","","90","","90","","120","","725.475","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","K3 Mo2 Cl9","","- Cl9 K3 Mo2 -","- Cl9 K3 Mo2 -","- Cl18 K6 Mo4 -","2","0.166667","","Stranger, R.; Grey, I.E.; Madsen, I.C.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156049","2020-10-21","18:00:00",""
"1530835","7.4808","","7.4808","","17.56779","","90","","90","","120","","851.42","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","K3 Mo2 Br9","","- Br9 K3 Mo2 -","- Br9 K3 Mo2 -","- Br18 K6 Mo4 -","2","0.166667","","Stranger, R.; Madsen, I.C.; Grey, I.E.; Smith, P.W.","Structure systematics in A3 Mo X9, X=Cl, Br, I, from Rietveld refinement of X-ray powder data","Journal of Solid State Chemistry","1987","69","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","156050","2020-10-21","18:00:00",""
"1530890","9.322","","5.132","","7.277","","90","","95.66","","90","","346.438","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Cs Lu (W O4)2","","- Cs Lu O8 W2 -","- Cs Lu O8 W2 -","- Cs2 Lu2 O16 W4 -","2","0.5","","Torardi, C.C.; Page, C.; Brixner, L.H.; Blasse, G.; Dirksen, G.J.","Structure and luminescence of some Cs Ln W2 O8 compounds","Journal of Solid State Chemistry","1987","69","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541063","15.862","","7.728","","6.408","","90","","94.37","","90","","783.219","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cs.33 Mo O3","","- Cs0.33 Mo O3 -","- Cs0.333333 Mo O3 -","- Cs4 Mo12 O36 -","12","1.5","","Tsai, P.-P.; Potenza, J.A.; Greenblatt, M.","Crystal structure of the red cesium molydenum bronze, Cs.33 Mo O3","Journal of Solid State Chemistry","1987","69","","329","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541127","18.9","","7.066","","14.17","","90","","115.4","","90","","1709.44","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ca (Re O4)2 (H2 O)2","","- Ca H4 O10 Re2 -","- Ca H4 O10 Re2 -","- Ca8 H32 O80 Re16 -","8","2","","Picard, J.P.; Besse, J.P.; Chevalier, R.; Gasperin, M.","Structure cristalline de Ca (Re O4)2 (H2 O)2","Journal of Solid State Chemistry","1987","69","","380","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""