# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-11-28T12:17:28+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 = 33 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 "9007411","4.7375","","10.292","","7.8897","","109.071","","90","","90","","363.575","","","","500","","","","","","","","Tilly Foster Mine, Brewster, New York","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T","High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 500 K","Physics and Chemistry of Minerals","2006","33","","17","27","10.1007/s00269-005-0035-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21","" "9007412","4.7426","","10.3082","","7.901","","109.072","","90","","90","","365.059","","","","700","","","","","","","","Tilly Foster Mine, Brewster, New York","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T","High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 700 K","Physics and Chemistry of Minerals","2006","33","","17","27","10.1007/s00269-005-0035-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21","" "9007413","4.7501","","10.3297","","7.91912","","109.048","","90","","90","","367.292","","","","900","","","","","","","","Tilly Foster Mine, Brewster, New York","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T","High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 900 K","Physics and Chemistry of Minerals","2006","33","","17","27","10.1007/s00269-005-0035-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21","" "9007414","7.0826","","8.7156","","6.5767","","90","","113.911","","90","","371.132","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 -","- Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 -","- Ca3.6 Na0.4 O20 Si4 Ta0.4 Ti3.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007415","7.1122","","8.7166","","6.5962","","90","","114.078","","90","","373.346","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 -","- Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 -","- Ca3.2 Na0.8 O20 Si4 Ta0.8 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007416","7.0547","","8.7121","","6.5629","","90","","113.75","","90","","369.204","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.1 Ca O5 Si Ta0.1 Ti0.8 -","- Al0.1 Ca O5 Si Ta0.1 Ti0.8 -","- Al0.4 Ca4 O20 Si4 Ta0.4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007417","7.061","","8.7162","","6.5697","","90","","113.742","","90","","370.113","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.2 Ca O5 Si Ta0.2 Ti0.6 -","- Al0.2 Ca O5 Si Ta0.2 Ti0.6 -","- Al0.8 Ca4 O20 Si4 Ta0.8 Ti2.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007418","7.0699","","8.722","","6.5776","","90","","113.744","","90","","371.266","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.3 Ca O5 Si Ta0.3 Ti0.4 -","- Al0.3 Ca O5 Si Ta0.3 Ti0.4 -","- Al1.2 Ca4 O20 Si4 Ta1.2 Ti1.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007419","7.8678","","7.8678","","9.5771","","90","","90","","120","","513.418","","","","","","","","","","","","","4","P 63","P 6c","173","","","Topaz","- Fe0.117 Mg6.217 O14 Si2 -","- Fe0.117 Mg6.217 O14 Si2 -","- Fe0.234 Mg12.434 O28 Si4 -","2","0.333333","","Holl, C. M.; Smyth, J. R.; Manghnani, M. H.; Amulele, G. M.; Sekar, M.; Frost, D. J.; Prakapenka, V. B.; Shen, G.","Crystal structure and compression of an iron-bearing Phase A to 33 GPa","Physics and Chemistry of Minerals","2006","33","","192","199","10.1007/s00269-006-0073-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007420","4.6627","","8.8343","","8.3867","","90","","90","","90","","345.462","","","","","","","","100","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = .0001 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007421","4.6325","","8.7938","","8.3254","","90","","90","","90","","339.154","","","","","","","","3140000","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 3.14 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007422","4.6071","","8.7614","","8.2765","","90","","90","","90","","334.078","","","","","","","","5790000","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 5.79 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007423","4.5841","","8.7308","","8.2316","","90","","90","","90","","329.452","","","","","","","","8390000","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 8.39 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007424","5.434","","5.434","","7.153","","90","","90","","120","","182.919","","","","","","","","","","","","","4","P 1","P 1","1","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","1","","Auzende, A. L.; Pellenq, R. J. M.; Devouard, B.; Baronnet, A.; Grauby, O.","Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite Note: 1T polytype Note: Hypothetical structure derived using semi-empirical potentials","Physics and Chemistry of Minerals","2006","33","","266","275","10.1007/s00269-006-0078-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9010861","5.3022","","9.1833","","10.1795","","90","","100.078","","90","","488.009","","","","10.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = -263 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010862","5.3134","","9.2042","","10.2093","","90","","100.067","","90","","491.605","","","","298.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 25 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010863","5.3181","","9.2123","","10.2202","","90","","100.07","","90","","492.994","","","","373.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 100 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010864","5.3247","","9.2245","","10.2371","","90","","100.079","","90","","495.063","","","","473.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 200 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010865","5.3312","","9.2359","","10.2541","","90","","100.084","","90","","497.096","","","","573.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 300 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010866","5.3377","","9.2455","","10.2729","","90","","100.093","","90","","499.119","","","","673.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 400 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010867","5.3427","","9.2537","","10.2923","","90","","100.092","","90","","500.976","","","","773.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 500 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010868","5.3468","","9.2616","","10.3101","","90","","100.078","","90","","502.678","","","","873.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 600 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010869","5.3497","","9.266","","10.325","","90","","100.075","","90","","503.921","","","","973.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 700 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010870","5.3528","","9.2708","","10.3411","","90","","100.05","","90","","505.3","","","","1073.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 800 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010871","18.2113","","8.8172","","5.205","","90","","90","","90","","835.781","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","8","1","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX3","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010872","18.2369","","8.8246","","5.2076","","90","","90","","90","","838.077","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","8","1","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX4","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010873","18.2162","","8.8194","","5.2054","","90","","90","","90","","836.279","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","8","1","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX5","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010874","12.535","","12.535","","12.37","","90","","90","","90","","1943.65","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: XRD","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010875","12.539","","12.539","","12.34","","90","","90","","90","","1940.18","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: SLEC","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010876","12.679","","12.679","","12.527","","90","","90","","90","","2013.8","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: DFT","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010877","6.9741","","6.9741","","17.19","","90","","90","","120","","724.074","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.967 H6 K0.805 Na0.132 O14.063 S2 -","- Al2.967 H6 K0.805 Na0.132 O14.063 S2 -","- Al8.901 H18 K2.415 Na0.396 O42.189 S6 -","3","0.0833333","","Majzlan, J.; Speziale, S.; Duffy, T. S.; Burns, P. C.","Single-crystal elastic properties of alunite, KAl3(SO4)2(OH)6","Physics and Chemistry of Minerals","2006","33","","567","573","10.1007/s00269-006-0104-z","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010878","11.0575","","11.0575","","10.4163","","90","","90","","120","","1102.96","","","","303","","","","","","","","","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","2","0.333333","","Martucci, A.; Cruciani, G.","In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 303 K","Physics and Chemistry of Minerals","2006","33","","723","731","10.1007/s00269-006-0124-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48","" "9010879","11.0825","","11.0825","","10.4447","","90","","90","","120","","1110.97","","","","413","","","","","","","","","6","P 63","P 6c","173","","","Thaumasite","- C H18 Ca3 O24.67 S Si -","- C H29.34 Ca3 O24.67 S Si -","- C2 H58.68 Ca6 O49.34 S2 Si2 -","2","0.333333","","Martucci, A.; Cruciani, G.","In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 413 K","Physics and Chemistry of Minerals","2006","33","","723","731","10.1007/s00269-006-0124-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""