# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-12-21T14:12:23+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 'Physics and Chemistry of Minerals') 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 "9006276","5.702","","11.169","","9.593","","90","","90","","90","","610.936","","","","","","","","","","quenched from 37 kbar and 1600 deg C","quenched from 37 kbar","","3","F d d d :2","-F 2uv 2vw","70","","","","- Cr2 O4 Si -","- Cr2 O4 Si -","- Cr16 O32 Si8 -","8","0.25","","Dollase, W. A.; Seifert, F.; O'Neill H St C","Structure of Cr2SiO4 and possible metal-metal interactions in crystal and melt Sample: P3A, quenched from 37 kbar and 1600 deg C","Physics and Chemistry of Minerals","1994","21","","104","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006277","11.5546","","11.5546","","11.5546","","90","","90","","90","","1542.64","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al1.7 Fe3.3 O12 Si3 -","- Al1.7 Fe3.3 O12 Si3 -","- Al13.6 Fe26.4 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: alm85","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006278","11.7076","","11.7076","","11.7076","","90","","90","","90","","1604.74","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.2 Fe4.8 O12 Si3 -","- Al0.2 Fe4.8 O12 Si3 -","- Al1.6 Fe38.4 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: alm10","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006279","11.7663","","11.7663","","11.7663","","90","","90","","90","","1628.99","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Ca0.33 Fe4.67 O12 Si3 -","- Ca0.33 Fe4.67 O12 Si3 -","- Ca2.64 Fe37.36 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and11","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006280","11.8002","","11.8002","","11.8002","","90","","90","","90","","1643.12","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Ca0.63 Fe4.37 O12 Si3 -","- Ca0.63 Fe4.37 O12 Si3 -","- Ca5.04 Fe34.96 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and21","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006281","11.8568","","11.8568","","11.8568","","90","","90","","90","","1666.87","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Ca1.92 Fe3.08 O12 Si3 -","- Ca1.92 Fe3.08 O12 Si3 -","- Ca15.36 Fe24.64 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and36,","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006282","11.915","","11.915","","11.915","","90","","90","","90","","1691.54","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca1.56 Fe3.44 O12 Si3 -","- Ca1.56 Fe3.44 O12 Si3 -","- Ca12.48 Fe27.52 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and52","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006283","11.9503","","11.9503","","11.9503","","90","","90","","90","","1706.62","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca1.08 Fe3.92 O12 Si3 -","- Ca1.08 Fe3.92 O12 Si3 -","- Ca8.64 Fe31.36 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and64","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006284","8.6557","","8.6557","","4.7702","","90","","90","","90","","357.389","","","","","","","","","","","","","2","I -4","I -4","82","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 1","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006285","4.7481","","4.7481","","7.488","","90","","90","","90","","168.813","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.25","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 2","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006286","5.0482","","6.6568","","4.9371","","90","","90","","90","","165.911","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 3","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006287","4.9329","","4.9329","","6.4645","","90","","90","","90","","157.304","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 4","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006288","4.9329","","4.9329","","6.4645","","90","","90","","90","","157.304","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 5","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006289","10.217","","7.9579","","4.9565","","90","","90","","90","","402.993","","","","","","","","","","","","","2","I m a 2","I 2 -2a","46","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 6","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006290","7.4953","","8.6203","","4.7305","","90","","90","","90","","305.646","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 7","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006291","8.8664","","4.7482","","8.7918","","90","","115.413","","90","","334.315","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 8","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006292","11.1032","","7.8989","","4.9771","","90","","112.265","","90","","403.96","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 9","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006293","4.8452","","6.9852","","7.0237","","113.811","","77.951","","76.701","","199.134","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 10","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006294","6.9979","","8.2122","","6.5106","","90","","114.93","","90","","339.289","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 11","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006295","6.8513","","7.3761","","6.7085","","90","","101.918","","90","","331.712","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 12","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006296","6.6211","","7.9963","","5.4115","","90","","100.228","","90","","281.955","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 13","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006297","5.8657","","5.1519","","5.3377","","92.6936","","90.7338","","90.0688","","161.111","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 14","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006298","5.098","","5.2954","","6.9599","","110.92","","107.558","","83.9309","","167.327","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 15","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006299","6.6395","","8.0488","","5.4184","","90","","99.9967","","90","","285.163","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 16","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006300","5.5569","","5.2463","","5.9716","","88.5667","","114.226","","94.0951","","158.353","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 17","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006301","4.1154","","4.4201","","15.5724","","90","","90","","90","","283.269","","","","","","","","","","","","","2","I 21 21 21","I 2b 2c","24","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 18","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006302","4.7082","","5.5282","","5.0064","","90","","107.835","","90","","124.044","","","","","","","","","","","","","2","P 1 m 1","P -2y","6","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 19","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006303","5.4515","","5.3227","","5.8091","","77.9812","","82.2353","","54.5766","","134.326","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 20","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006304","4.7209","","4.5622","","6.0394","","90.9053","","93.3589","","105.959","","124.778","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 21","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006305","4.2166","","4.0206","","7.6423","","90","","119.667","","90","","112.579","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 22","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006306","4.1605","","4.1294","","7.4211","","90","","101.375","","90","","124.993","","","","","","","","","","","","","2","P 1 2 1","P 2y","3","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 23","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006307","4.6409","","5.2953","","6.7956","","111.506","","93.9553","","90.7337","","154.874","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 24","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006308","8.1007","","8.1007","","8.1007","","90","","90","","90","","531.579","","","","","","","","","","annealed at 725 degrees C for 48 hours, then quenched","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 Fe0.2 O4 Zn0.8 -","- Al2 Fe0.2 O4 Zn0.8 -","- Al16 Fe1.6 O32 Zn6.4 -","8","0.0416667","","Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.","Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o