American Mineralogist Crystal Structure Database

41 matching records for this search.

Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol81/AM81_1337.pdf
American Mineralogist 81 (1996) 1337-1343
The structure of ordered and disordered lead feldspar (PbAl2Si2O8)
Sample: disordered
_database_code_amcsd 0001839
8.428 13.054 7.174 90 115.32 90 C2/m
atom      x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    .2749 .0213 .1406  .5   .022   .052   .043   .016   .008   .004
Si1   .0038 .1793 .2258  .5   .018   .013   .016   .005   .009  -.001
Al1   .0038 .1793 .2258  .5   .018   .013   .016   .005   .009  -.001
Si2   .6932 .1170 .3455  .5   .010   .006   .008   .000   .003   .000
Al2   .6932 .1170 .3455  .5   .010   .006   .008   .000   .003   .000
OA(l)     0 .1353     0       .027   .019   .015   .000   .007   .000
OA(2) .6033     0 .2956       .019   .012   .031   .000   .010   .000
OB    .8175 .1311 .2214       .028   .025   .032   .000   .017   .001
OC    .0181 .3066 .2539       .025   .019   .029  -.006   .014   .002
OD    .1905 .1249 .4010       .025   .028   .016   .001   .001  -.001
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol81/AM81_1337.pdf
American Mineralogist 81 (1996) 1337-1343
The structure of ordered and disordered lead feldspar (PbAl2Si2O8)
Sample: ordered
_database_code_amcsd 0001840
8.388 13.067 14.327 90 115.19 90 I2/c
atom       x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb     .2715 -.0098  .0731  .5   .009   .030   .021  -.002   .005  -.001
Si1(0) .0077  .1755  .1091       .007   .008   .006  -.002   .003  -.001
Al1(z) .0021  .1797  .6163       .006   .007   .007  -.002   .004  -.000
Al2(0) .6945  .1202  .1712       .004   .007   .008   .001   .003   .001
Si2(z) .6867  .1137  .6748       .005   .006   .009  -.001   .003  -.001
OA(l)  .0062  .1336  .0006       .016   .015   .007  -.002   .005   .000
OA(2)  .5956 -.0008  .1471       .007   .004   .017   .002   .004   .002
OB(O)  .8280  .1295  .1055       .011   .014   .023  -.004   .012  -.001
OB(z)  .8154  .1300  .6191       .009   .019   .022  -.002   .013   .001
OC(O)  .0178  .2979  .1217       .013   .010   .018  -.005   .008  -.002
OC(Z)  .0182  .3109  .6328       .011   .007   .018  -.003   .005  -.003
OD(O)  .1833  .1230  .1957       .015   .021   .010  -.000   .000   .002
OD(z)  .2006  .1202  .7010       .009   .014   .012   .001   .001   .001
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_L1h, single Pb site
_database_code_amcsd 0001953
8.395 13.081 14.343 90 115.27 90 I2/c
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    .2716 -.0096  .0728        .017   .044   .022  -.003   .008  -.002
Al1o  .0078  .1760  .1091 .075   .014   .014   .006  -.003   .006  -.001
Si1o  .0078  .1760  .1091 .925   .014   .014   .006  -.003   .006  -.001
Al1z  .0022  .1797  .6164 .925   .013   .013   .009  -.003   .008  -.001
Si1z  .0022  .1797  .6164 .075   .013   .013   .009  -.003   .008  -.001
Al2o  .6948  .1201  .1711 .925   .013   .010   .008   .000   .007   .000
Si2o  .6948  .1201  .1711 .075   .013   .010   .008   .000   .007   .000
Al2z  .6873  .1140  .6749 .075   .012   .011   .009   .001   .007   .001
Si2z  .6873  .1140  .6749 .925   .012   .011   .009   .001   .007   .001
OA(1) .0052  .1342  .0009        .027   .021   .009  -.002   .012  -.002
OA(2) .5944 -.0005  .1459        .015   .011   .022  -.002   .009   .000
OB(o) .8256  .1289  .1060        .014   .019   .023   .004   .012  -.001
OB(Z) .8137  .1301  .6183        .014   .022   .031  -.001   .017   .003
OC(O) .0189  .2987  .1219        .021   .017   .019  -.002   .010  -.002
OC(Z) .0190  .3108  .6323        .018   .018   .020  -.003   .010   .004
OD(o) .1845  .1233  .1957        .021   .028   .011   .003   .008   .005
OD(Z) .2021  .1210  .7011        .018   .018   .015   .004   .004   .004
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_L1h, split Pb site
_database_code_amcsd 0001954
8.395 13.081 14.343 90 115.27 90 I2/c
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'   .2699 -.0111  .0736   .6   .013   .027   .015  -.007   .004   .000
Pb"   .2758 -.0029  .0704   .4   .026   .119   .044   .009   .022  -.003
Al1o  .0078  .1760  .1091 .075   .014   .014   .006  -.003   .006  -.001
Si1o  .0078  .1760  .1091 .925   .014   .014   .006  -.003   .006  -.001
Al1z  .0022  .1797  .6164 .925   .013   .013   .009  -.003   .008  -.001
Si1z  .0022  .1797  .6164 .075   .013   .013   .009  -.003   .008  -.001
Al2o  .6948  .1201  .1711 .925   .013   .010   .008   .000   .007   .000
Si2o  .6948  .1201  .1711 .075   .013   .010   .008   .000   .007   .000
Al2z  .6873  .1140  .6749 .075   .012   .011   .009   .001   .007   .001
Si2z  .6873  .1140  .6749 .925   .012   .011   .009   .001   .007   .001
OA(1) .0052  .1342  .0009        .027   .021   .009  -.002   .012  -.002
OA(2) .5944 -.0005  .1459        .015   .011   .022  -.002   .009   .000
OB(o) .8256  .1289  .1060        .014   .019   .023   .004   .012  -.001
OB(Z) .8137  .1301  .6183        .014   .022   .031  -.001   .017   .003
OC(O) .0189  .2987  .1219        .021   .017   .019  -.002   .010  -.002
OC(Z) .0190  .3108  .6323        .018   .018   .020  -.003   .010   .004
OD(o) .1845  .1233  .1957        .021   .028   .011   .003   .008   .005
OD(Z) .2021  .1210  .7011        .018   .018   .015   .004   .004   .004
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_L16h, single Pb site
_database_code_amcsd 0001955
8.399 13.061 14.334 90 115.28 90 I2/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    .2723 -.0079  .0719       .017   .071   .028  -.010   .007  -.003
Al1o  .0072  .1773  .1097 .14   .011   .013   .008  -.002   .004  -.002
Si1o  .0072  .1773  .1097 .86   .011   .013   .008  -.002   .004  -.002
Al1z  .0025  .1793  .6153 .86   .013   .013   .004  -.003   .007   .000
Si1z  .0025  .1793  .6153 .14   .013   .013   .004  -.003   .007   .000
Al2o  .6958  .1198  .1714 .86   .007   .008   .010   .004   .004   .001
Si2o  .6958  .1198  .1714 .14   .007   .008   .010   .004   .004   .001
Al2z  .6875  .1149  .6738 .14   .012   .011   .009  -.003   .006  -.002
Si2z  .6875  .1149  .6738 .86   .012   .011   .009  -.003   .006  -.002
OA(1) .0020  .1345 -.0010       .022   .021   .011   .004   .009  -.003
OA(2) .5984 -.0004  .1465       .014   .015   .018  -.003   .006  -.005
OB(o) .8294  .1294  .1079       .021   .021   .026  -.003   .015  -.005
OB(Z) .8148  .1322  .6163       .021   .015   .024  -.005   .011   .003
Oc(o) .0179  .3008  .1219       .023   .011   .023   .000   .008  -.001
Ocz   .0200  .3105  .6325       .012   .014   .020  -.001   .007  -.006
Odo   .1837  .1244  .1963       .020   .020   .014   .004   .000   .005
Odz   .1986  .1228  .7021       .015   .019   .016   .001   .006  -.001
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_L16h, split Pb site
_database_code_amcsd 0001956
8.399 13.061 14.334 90 115.28 90 I2/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'   .2731 -.0136  .0730  .6   .009   .039   .019  -.012   .003   .000
Pb"   .2726  .0058  .0691  .4   .037   .109   .048   .031   .014  -.002
Al1o  .0072  .1773  .1097 .14   .011   .013   .008  -.002   .004  -.002
Si1o  .0072  .1773  .1097 .86   .011   .013   .008  -.002   .004  -.002
Al1z  .0025  .1793  .6153 .86   .013   .013   .004  -.003   .007   .000
Si1z  .0025  .1793  .6153 .14   .013   .013   .004  -.003   .007   .000
Al2o  .6958  .1198  .1714 .86   .007   .008   .010   .004   .004   .001
Si2o  .6958  .1198  .1714 .14   .007   .008   .010   .004   .004   .001
Al2z  .6875  .1149  .6738 .14   .012   .011   .009  -.003   .006  -.002
Si2z  .6875  .1149  .6738 .86   .012   .011   .009  -.003   .006  -.002
OA(1) .0020  .1345 -.0010       .022   .021   .011   .004   .009  -.003
OA(2) .5984 -.0004  .1465       .014   .015   .018  -.003   .006  -.005
OB(o) .8294  .1294  .1079       .021   .021   .026  -.003   .015  -.005
OB(Z) .8148  .1322  .6163       .021   .015   .024  -.005   .011   .003
Oc(o) .0179  .3008  .1219       .023   .011   .023   .000   .008  -.001
Ocz   .0200  .3105  .6325       .012   .014   .020  -.001   .007  -.006
Odo   .1837  .1244  .1963       .020   .020   .014   .004   .000   .005
Odz   .1986  .1228  .7021       .015   .019   .016   .001   .006  -.001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_L64h, single Pb site
_database_code_amcsd 0001957
8.405 13.063 14.344 90 115.29 90 I2/c
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .2723 -.0076  .0718       .014   .074   .031  -.010   .006  -.005
Al1o .0068  .1769  .1091 .15   .013   .008   .007  -.004   .007  -.001
Si1o .0068  .1769  .1091 .85   .013   .008   .007  -.004   .007  -.001
Al1z .0027  .1799  .6162 .85   .008   .008   .007  -.003   .003  -.002
Si1z .0027  .1799  .6162 .15   .008   .008   .007  -.003   .003  -.002
Al2o .6968  .1195  .1720 .85   .006   .004   .011   .001   .002  -.001
Si2o .6968  .1195  .1720 .15   .006   .004   .011   .001   .002  -.001
Al2z .6883  .1148  .6734 .15   .006   .008   .010   .000   .005   .001
Si2z .6883  .1148  .6734 .85   .006   .008   .010   .000   .005   .001
Oa1  .0049  .1335  .0003       .022   .012   .008  -.001   .010   .000
Oa2  .5988 -.0010  .1456       .013   .005   .021   .003   .004   .009
Obo  .8256  .1295  .1079       .030   .013   .024  -.008   .020  -.002
Obz  .8157  .1300  .6156       .011   .020   .028  -.004   .008   .004
Oco  .0158  .3004  .1207       .015   .019   .022  -.003   .010   .002
Ocz  .0205  .3109  .6320       .018   .017   .011  -.002   .004  -.005
Odo  .1856  .1254  .1964       .027   .023   .011   .002   .008   .007
Odz  .1958  .1211  .7010       .008   .021   .015  -.001   .000  -.003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_L64h, split Pb site
_database_code_amcsd 0001958
8.405 13.063 14.344 90 115.29 90 I2/c
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'  .2742  .0005  .0695  .6   .018   .118   .049   .013   .012   .001
Pb"  .2710 -.0136  .0737  .4   .010   .025   .015  -.015   .002  -.003
Al1o .0068  .1769  .1091 .15   .013   .008   .007  -.004   .007  -.001
Si1o .0068  .1769  .1091 .85   .013   .008   .007  -.004   .007  -.001
Al1z .0027  .1799  .6162 .85   .008   .008   .007  -.003   .003  -.002
Si1z .0027  .1799  .6162 .15   .008   .008   .007  -.003   .003  -.002
Al2o .6968  .1195  .1720 .85   .006   .004   .011   .001   .002  -.001
Si2o .6968  .1195  .1720 .15   .006   .004   .011   .001   .002  -.001
Al2z .6883  .1148  .6734 .15   .006   .008   .010   .000   .005   .001
Si2z .6883  .1148  .6734 .85   .006   .008   .010   .000   .005   .001
Oa1  .0049  .1335  .0003       .022   .012   .008  -.001   .010   .000
Oa2  .5988 -.0010  .1456       .013   .005   .021   .003   .004   .009
Obo  .8256  .1295  .1079       .030   .013   .024  -.008   .020  -.002
Obz  .8157  .1300  .6156       .011   .020   .028  -.004   .008   .004
Oco  .0158  .3004  .1207       .015   .019   .022  -.003   .010   .002
Ocz  .0205  .3109  .6320       .018   .017   .011  -.002   .004  -.005
Odo  .1856  .1254  .1964       .027   .023   .011   .002   .008   .007
Odz  .1958  .1211  .7010       .008   .021   .015  -.001   .000  -.003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_H136h, single Pb site
_database_code_amcsd 0001959
8.418 13.076 14.365 90 115.28 90 I2/c
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .2723 -.0045  .0715       .015   .098   .032  -.016   .006  -.005
Al1o .0055  .1775  .1105 .29   .009   .016   .008  -.004   .002   .001
Si1o .0055  .1775  .1105 .71   .009   .016   .008  -.004   .002   .001
Al1z .0040  .1794  .6147 .71   .011   .012   .010  -.003   .006  -.001
Si1z .0040  .1794  .6147 .29   .011   .012   .010  -.003   .006  -.001
Al2o .6942  .1186  .1719 .71   .006   .007   .012  -.001   .004  -.001
Si2o .6942  .1186  .1719 .29   .006   .007   .012  -.001   .004  -.001
Al2z .6897  .1153  .6735 .29   .008   .012   .007   .000   .002  -.001
Si2z .6897  .1153  .6735 .71   .008   .012   .007   .000   .002  -.001
Oa1  .0021  .1342 -.0010       .019   .020   .012  -.001   .008  -.003
Oa2  .5992 -.0003  .1462       .010   .010   .025  -.001   .006  -.002
Obo  .8219  .1311  .1084       .017   .024   .027   .004   .010   .001
Obz  .8169  .1305  .6146       .019   .022   .030  -.004   .014  -.001
Oco  .0160  .3025  .1233       .023   .020   .021  -.006   .009   .003
Ocz  .0206  .3092  .6310       .014   .017   .027  -.006   .005  -.002
Odo  .1876  .1242  .1980       .018   .027   .015   .004   .002   .003
Odz  .1946  .1222  .7007       .016   .026   .016  -.002   .003  -.001
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Tribaudino M, Benna P, Bruno E
Download am/vol83/AM83_159.pdf
American Mineralogist 83 (1998) 159-166
Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
Sample: PbF_H136h, split Pb site
_database_code_amcsd 0001960
8.418 13.076 14.365 90 115.28 90 I2/c
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'  .2717 -.0141  .0743  .6   .013   .046   .023  -.011   .005   .005
Pb"  .2760  .0171  .0656  .4   .019   .072   .044   .014   .011   .020
Al1o .0055  .1775  .1105 .29   .009   .016   .008  -.004   .002   .001
Si1o .0055  .1775  .1105 .71   .009   .016   .008  -.004   .002   .001
Al1z .0040  .1794  .6147 .71   .011   .012   .010  -.003   .006  -.001
Si1z .0040  .1794  .6147 .29   .011   .012   .010  -.003   .006  -.001
Al2o .6942  .1186  .1719 .71   .006   .007   .012  -.001   .004  -.001
Si2o .6942  .1186  .1719 .29   .006   .007   .012  -.001   .004  -.001
Al2z .6897  .1153  .6735 .29   .008   .012   .007   .000   .002  -.001
Si2z .6897  .1153  .6735 .71   .008   .012   .007   .000   .002  -.001
Oa1  .0021  .1342 -.0010       .019   .020   .012  -.001   .008  -.003
Oa2  .5992 -.0003  .1462       .010   .010   .025  -.001   .006  -.002
Obo  .8219  .1311  .1084       .017   .024   .027   .004   .010   .001
Obz  .8169  .1305  .6146       .019   .022   .030  -.004   .014  -.001
Oco  .0160  .3025  .1233       .023   .020   .021  -.006   .009   .003
Ocz  .0206  .3092  .6310       .014   .017   .027  -.006   .005  -.002
Odo  .1876  .1242  .1980       .018   .027   .015   .004   .002   .003
Odz  .1946  .1222  .7007       .016   .026   .016  -.002   .003  -.001
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 20 C, single Pb atom model
_database_code_amcsd 0002065
8.402 13.043 14.308 90 115.30 90 I2/c
atom       x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb     .2709 -.0080 .0723       .012   .055   .028  -.004   .005  -.002
Si1(O) .0062  .1767 .1097 .71   .009   .013   .010  -.002   .004  -.000
Al1(O) .0062  .1767 .1097 .29   .009   .013   .010  -.002   .004  -.000
Si1(z) .0033  .1794 .6156 .71   .005   .012   .007  -.002   .001  -.000
Al1(z) .0033  .1794 .6156 .29   .005   .012   .007  -.002   .001  -.000
Si2(O) .6950  .1192 .1717 .71   .004   .009   .008   .000   .000   .000
Al2(O) .6950  .1192 .1717 .29   .004   .009   .008   .000   .000   .000
Si2(z) .6883  .1147 .6739 .71   .006   .010   .012   .000   .004  -.001
Al2(z) .6883  .1147 .6739 .29   .006   .010   .012   .000   .004  -.001
OA(1)  .0041  .1342 .0012       .018   .024   .006  -.003   .005   .000
OA(2)  .5986 -.0011 .1470       .008   .010   .020  -.001   .001   .000
OB(O)  .8248  .1297 .1074       .011   .022   .024  -.003   .008   .000
OB(z)  .8144  .1311 .6170       .017   .025   .029  -.005   .013   .001
OC(O)  .0178  .3006 .1224       .012   .022   .020  -.005   .005  -.003
OC(z)  .0183  .3103 .6323       .021   .015   .018  -.009   .005  -.003
OD(O)  .1857  .1240 .1969       .013   .026   .011   .001  -.001   .002
OD(z)  .1987  .1212 .7010       .014   .021   .013  -.002   .000   .003
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 230 C, single Pb atom model
_database_code_amcsd 0002066
8.422 13.045 14.310 90 115.34 90 I2/c
atom       x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb     .2731 -.0063 .0713       .021   .084   .044  -.006   .008  -.004
Si1(O) .0059  .1777 .1100 .71   .016   .019   .012  -.004   .005   .001
Al1(O) .0059  .1777 .1100 .29   .016   .019   .012  -.004   .005   .001
Si1(z) .0039  .1798 .6158 .71   .011   .017   .013  -.003   .005   .001
Al1(z) .0039  .1798 .6158 .29   .011   .017   .013  -.003   .005   .001
Si2(O) .6959  .1194 .1714 .71   .013   .013   .015   .002   .002   .002
Al2(O) .6959  .1194 .1714 .29   .013   .013   .015   .002   .002   .002
Si2(z) .6901  .1148 .6732 .71   .008   .018   .015  -.003   .003  -.003
Al2(z) .6901  .1148 .6732 .29   .008   .018   .015  -.003   .003  -.003
OA(1)  .0041  .1342 .0011       .029   .031   .014  -.001   .009  -.001
OA(2)  .6023 -.0016 .1462       .011   .016   .038   .000   .004  -.001
OB(O)  .8236  .1310 .1078       .017   .037   .029  -.008   .008   .001
OB(z)  .8153  .1320 .6159       .031   .039   .052  -.007   .028   .001
OC(O)  .0200  .3011 .1217       .020   .032   .026  -.008   .012  -.002
OC(z)  .0176  .3101 .6332       .026   .027   .036  -.010   .011  -.006
OD(O)  .1815  .1252 .1976       .028   .037   .022   .004   .005  -.001
OD(z)  .1982  .1208 .7011       .012   .035   .016  -.001  -.002   .005
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 465 C, single Pb atom model
_database_code_amcsd 0002067
8.440 13.051 14.325 90 115.33 90 I2/c
atom       x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb     .2745 -.0050 .0706       .026   .104   .056  -.009   .011  -.007
Si1(O) .0061  .1786 .1095 .71   .024   .024   .019  -.004   .012   .000
Al1(O) .0061  .1786 .1095 .29   .024   .024   .019  -.004   .012   .000
Si1(z) .0039  .1802 .6160 .71   .011   .018   .014  -.006   .003  -.001
Al1(z) .0039  .1802 .6160 .29   .011   .018   .014  -.006   .003  -.001
Si2(O) .6980  .1194 .1727 .71   .006   .018   .017   .001   .001   .002
Al2(O) .6980  .1194 .1727 .29   .006   .018   .017   .001   .001   .002
Si2(z) .6890  .1152 .6726 .71   .019   .019   .024  -.005   .010  -.005
Al2(z) .6890  .1152 .6726 .29   .019   .019   .024  -.005   .010  -.005
OA(1)  .0028  .1347 .0009       .034   .041   .015   .001   .011  -.007
OA(2)  .6037 -.0012 .1468       .018   .019   .046   .015   .008   .000
OB(O)  .8287  .1308 .1100       .036   .043   .041  -.012   .020  -.007
OB(z)  .8128  .1329 .6134       .022   .051   .062  -.010   .024   .008
OC(O)  .0138  .3023 .1207       .024   .040   .027  -.005   .010  -.010
OC(z)  .0265  .3096 .6356       .034   .020   .058  -.019   .012  -.006
OD(O)  .1789  .1261 .1969       .042   .048   .036   .015   .010  -.002
OD(z)  .1983  .1217 .7015       .013   .046   .016  -.002  -.003   .008
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 700 C, single Pb atom model
_database_code_amcsd 0002068
8.448 13.057 7.166 90 115.25 90 C2/m
atom      x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    .2760 -.0041 .1404       .038   .130   .076  -.011   .016  -.011
Si1   .0051  .1798 .2253 .71   .029   .032   .031  -.005   .012   .001
Al1   .0051  .1798 .2253 .29   .029   .032   .031  -.005   .012   .001
Si2   .6948  .1174 .3453 .71   .019   .024   .030  -.001   .007  -.001
Al2   .6948  .1174 .3453 .29   .019   .024   .030  -.001   .007  -.001
OA(1)     0  .1351     0       .049   .055   .029      0   .022      0
OA(2) .6057      0 .2918       .030   .024   .066      0   .013      0
OB    .8203  .1334 .2243       .041   .063   .064  -.015   .025  -.001
OC    .0215  .3072 .2543       .041   .039   .066  -.011   .021  -.003
OD    .1899  .1248 .3983       .043   .060   .038   .006   .009   .002
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 20 C, split Pb atom model
_database_code_amcsd 0002069
8.402 13.043 14.308 90 115.30 90 I2/c
atom       x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'    .2698 -.0113 .0730 .74   .012   .040   .023  -.008   .005  -.001
Pb"    .2768  .0103 .0687 .26   .011   .080   .047   .009   .008   .004
Si1(O) .0062  .1767 .1097 .71   .009   .013   .010  -.002   .004  -.000
Al1(O) .0062  .1767 .1097 .29   .009   .013   .010  -.002   .004  -.000
Si1(z) .0033  .1794 .6156 .71   .005   .012   .007  -.002   .001  -.000
Al1(z) .0033  .1794 .6156 .29   .005   .012   .007  -.002   .001  -.000
Si2(O) .6950  .1192 .1717 .71   .004   .009   .008   .000   .000   .000
Al2(O) .6950  .1192 .1717 .29   .004   .009   .008   .000   .000   .000
Si2(z) .6883  .1147 .6739 .71   .006   .010   .012   .000   .004  -.001
Al2(z) .6883  .1147 .6739 .29   .006   .010   .012   .000   .004  -.001
OA(1)  .0041  .1342 .0012       .018   .024   .006  -.003   .005   .000
OA(2)  .5986 -.0011 .1470       .008   .010   .020  -.001   .001   .000
OB(O)  .8248  .1297 .1074       .011   .022   .024  -.003   .008   .000
OB(z)  .8144  .1311 .6170       .017   .025   .029  -.005   .013   .001
OC(O)  .0178  .3006 .1224       .012   .022   .020  -.005   .005  -.003
OC(z)  .0183  .3103 .6323       .021   .015   .018  -.009   .005  -.003
OD(O)  .1857  .1240 .1969       .013   .026   .011   .001  -.001   .002
OD(z)  .1987  .1212 .7010       .014   .021   .013  -.002   .000   .003
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 230 C, split Pb atom model
_database_code_amcsd 0002070
8.422 13.045 14.310 90 115.34 90 I2/c
atom       x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'    .2705 -.0136 .0726 .59   .021   .054   .034  -.013   .007  -.001
Pb"    .2787  .0089 .0686 .41   .019   .081   .061   .006   .012   .005
Si1(O) .0059  .1777 .1100 .71   .016   .019   .012  -.004   .005   .001
Al1(O) .0059  .1777 .1100 .29   .016   .019   .012  -.004   .005   .001
Si1(z) .0039  .1798 .6158 .71   .011   .017   .013  -.003   .005   .001
Al1(z) .0039  .1798 .6158 .29   .011   .017   .013  -.003   .005   .001
Si2(O) .6959  .1194 .1714 .71   .013   .013   .015   .002   .002   .002
Al2(O) .6959  .1194 .1714 .29   .013   .013   .015   .002   .002   .002
Si2(z) .6901  .1148 .6732 .71   .008   .018   .015  -.003   .003  -.003
Al2(z) .6901  .1148 .6732 .29   .008   .018   .015  -.003   .003  -.003
OA(1)  .0041  .1342 .0011       .029   .031   .014  -.001   .009  -.001
OA(2)  .6023 -.0016 .1462       .011   .016   .038   .000   .004  -.001
OB(O)  .8236  .1310 .1078       .017   .037   .029  -.008   .008   .001
OB(z)  .8153  .1320 .6159       .031   .039   .052  -.007   .028   .001
OC(O)  .0200  .3011 .1217       .020   .032   .026  -.008   .012  -.002
OC(z)  .0176  .3101 .6332       .026   .027   .036  -.010   .011  -.006
OD(O)  .1815  .1252 .1976       .028   .037   .022   .004   .005  -.001
OD(z)  .1982  .1208 .7011       .012   .035   .016  -.001  -.002   .005
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 465 C, split Pb atom model
_database_code_amcsd 0002071
8.440 13.051 14.325 90 115.33 90 I2/c
atom       x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'    .2703 -.0157 .0717 .44   .024   .063   .043  -.021   .010  -.005
Pb"    .2798  .0068 .0693 .56   .026   .098   .071   .004   .013  -.000
Si1(O) .0061  .1786 .1095 .71   .024   .024   .019  -.004   .012   .000
Al1(O) .0061  .1786 .1095 .29   .024   .024   .019  -.004   .012   .000
Si1(z) .0039  .1802 .6160 .71   .011   .018   .014  -.006   .003  -.001
Al1(z) .0039  .1802 .6160 .29   .011   .018   .014  -.006   .003  -.001
Si2(O) .6980  .1194 .1727 .71   .006   .018   .017   .001   .001   .002
Al2(O) .6980  .1194 .1727 .29   .006   .018   .017   .001   .001   .002
Si2(z) .6890  .1152 .6726 .71   .019   .019   .024  -.005   .010  -.005
Al2(z) .6890  .1152 .6726 .29   .019   .019   .024  -.005   .010  -.005
OA(1)  .0028  .1347 .0009       .034   .041   .015   .001   .011  -.007
OA(2)  .6037 -.0012 .1468       .018   .019   .046   .015   .008   .000
OB(O)  .8287  .1308 .1100       .036   .043   .041  -.012   .020  -.007
OB(z)  .8128  .1329 .6134       .022   .051   .062  -.010   .024   .008
OC(O)  .0138  .3023 .1207       .024   .040   .027  -.005   .010  -.010
OC(z)  .0265  .3096 .6356       .034   .020   .058  -.019   .012  -.006
OD(O)  .1789  .1261 .1969       .042   .048   .036   .015   .010  -.002
OD(z)  .1983  .1217 .7015       .013   .046   .016  -.002  -.003   .008
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Feldspar
 
Benna P, Tribaudino M, Bruno E
Download am/vol84/AM84_120.pdf
American Mineralogist 84 (1999) 120-129
High-temperature in situ structural investigation on lead feldspar
Sample at T = 700 C, split Pb atom model
_database_code_amcsd 0002072
8.448 13.057 7.166 90 115.25 90 C2/m
atom      x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb'   .2771 -.0158 .1405  .5   .039   .083   .076  -.013   .016  -.003
Pb"   .2771  .0158 .1405  .5   .039   .083   .076   .013   .016   .003
Si1   .0051  .1798 .2253 .71   .029   .032   .031  -.005   .012   .001
Al1   .0051  .1798 .2253 .29   .029   .032   .031  -.005   .012   .001
Si2   .6948  .1174 .3453 .71   .019   .024   .030  -.001   .007  -.001
Al2   .6948  .1174 .3453 .29   .019   .024   .030  -.001   .007  -.001
OA(1)     0  .1351     0       .049   .055   .029      0   .022      0
OA(2) .6057      0 .2918       .030   .024   .066      0   .013      0
OB    .8203  .1334 .2243       .041   .063   .064  -.015   .025  -.001
OC    .0215  .3072 .2543       .041   .039   .066  -.011   .021  -.003
OD    .1899  .1248 .3983       .043   .060   .038   .006   .009   .002
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Bruno E
Download am/vol86/AM86_690.pdf
American Mineralogist 86 (2001) 690-696
Single-crystal in situ high-temperature structural investigation
on strontium feldspar
Sample T = 20 C
Locality: synthetic
_database_code_amcsd 0002652
8.379 12.963 14.245 90 115.46 90 I2/c
atom        x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      .2691 -.0021 .0656     .016   .007   .024   .016      0   .002  -.002
AlT1(0) .0070  .1747 .1086 .19 .007   .006   .009   .005  -.002   .002   .000
SiT1(0) .0070  .1747 .1086 .81 .007   .006   .009   .005  -.002   .002   .000
AlT1(z) .0032  .1776 .6162 .81 .007   .006   .009   .005  -.002   .002   .000
SiT1(z) .0032  .1776 .6162 .19 .007   .006   .009   .005  -.002   .002   .000
AlT2(0) .6939  .1203 .1705 .76 .006   .004   .007   .005      0   .001   .000
SiT2(0) .6939  .1203 .1705 .24 .006   .004   .007   .005      0   .001   .000
AlT2(z) .6854  .1133 .6716 .14 .007   .005   .007   .006      0   .001   .000
SiT2(z) .6854  .1133 .6716 .86 .007   .005   .007   .006      0   .001   .000
OA(1)   .0044  .1294 .0002     .011   .012   .015   .005   .000   .003   .000
OA(2)   .5914 -.0001 .1428     .010   .006   .008   .014  -.000   .001   .000
OB(0)   .8280  .1264 .1066     .014   .011   .018   .016  -.005   .008  -.003
OB(z)   .8089  .1267 .6111     .014   .011   .017   .015  -.003   .007   .001
OC(0)   .0134  .2981 .1184     .014   .012   .013   .014  -.005   .004  -.001
OC(z)   .0182  .3091 .6304     .013   .011   .011   .016  -.005   .005  -.003
OD(0)   .1876  .1247 .1961     .015   .012   .020   .008   .001   .000   .002
OD(z)   .1975  .1188 .7037     .013   .011   .017   .008   .001  -.000   .001
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Bruno E
Download am/vol86/AM86_690.pdf
American Mineralogist 86 (2001) 690-696
Single-crystal in situ high-temperature structural investigation
on strontium feldspar
Sample T = 160 C
Locality: synthetic
_database_code_amcsd 0002653
8.392 12.967 14.260 90 115.43 90 I2/c
atom        x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      .2707 -.0018 .0657     .025   .011   .035   .027      0   .004  -.003
AlT1(0) .0067  .1753 .1085 .19 .011   .010   .013   .009  -.003   .004  -.001
SiT1(0) .0067  .1753 .1085 .81 .011   .010   .013   .009  -.003   .004  -.001
AlT1(z) .0036  .1781 .6162 .81 .010   .009   .013   .009  -.003   .003  -.001
SiT1(z) .0036  .1781 .6162 .19 .010   .009   .013   .009  -.003   .003  -.001
AlT2(0) .6949  .1204 .1708 .76 .010   .008   .011   .010  -.001   .003   .000
SiT2(0) .6949  .1204 .1708 .24 .010   .008   .011   .010  -.001   .003   .000
AlT2(z) .6864  .1134 .6718 .14 .010   .007   .010   .012  -.001   .003   .000
SiT2(z) .6864  .1134 .6718 .86 .010   .007   .010   .012  -.001   .003   .000
OA(1)   .0043  .1296 .0004     .016   .019   .021   .010  -.002   .007  -.003
OA(2)   .5937 -.0002 .1430     .017   .010   .011   .026   .001   .005  -.001
OB(0)   .8280  .1270 .1068     .022   .019   .026   .025  -.006   .014  -.003
OB(z)   .8105  .1276 .6116     .022   .017   .025   .029  -.005   .014   .002
OC(0)   .0138  .2987 .1187     .021   .019   .016   .023  -.006   .006  -.002
OC(z)   .0198  .3096 .6308     .021   .016   .017   .028  -.008   .007  -.005
OD(0)   .1862  .1255 .1964     .024   .020   .030   .015   .003   .002   .003
OD(z)   .1963  .1191 .7032     .021   .015   .026   .014   .001  -.001   .002
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Bruno E
Download am/vol86/AM86_690.pdf
American Mineralogist 86 (2001) 690-696
Single-crystal in situ high-temperature structural investigation
on strontium feldspar
Sample T = 330 C
Locality: synthetic
_database_code_amcsd 0002654
8.399 12.963 14.266 90 115.39 90 I2/c
atom        x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      .2722 -.0016 .0658     .035   .016   .046   .037      0   .005  -.003
AlT1(0) .0072  .1759 .1086 .19 .015   .014   .018   .013  -.004   .006  -.001
SiT1(0) .0072  .1759 .1086 .81 .015   .014   .018   .013  -.004   .006  -.001
AlT1(z) .0036  .1785 .6162 .81 .015   .014   .017   .013  -.004   .006  -.001
SiT1(z) .0036  .1785 .6162 .19 .015   .014   .017   .013  -.004   .006  -.001
AlT2(0) .6961  .1207 .1711 .76 .014   .012   .014   .016  -.001   .004   .000
SiT2(0) .6961  .1207 .1711 .24 .014   .012   .014   .016  -.001   .004   .000
AlT2(z) .6877  .1136 .6722 .14 .014   .011   .014   .016  -.002   .004  -.001
SiT2(z) .6877  .1136 .6722 .86 .014   .011   .014   .016  -.002   .004  -.001
OA(1)   .0049  .1303 .0008     .024   .030   .029   .013  -.004   .011  -.003
OA(2)   .5955 -.0003 .1432     .023   .013   .014   .036  -.001   .005  -.002
OB(0)   .8282  .1278 .1070     .029   .025   .035   .034  -.010   .018  -.003
OB(z)   .8107  .1284 .6117     .032   .025   .036   .042  -.007   .021   .002
OC(0)   .0136  .2990 .1184     .028   .024   .022   .031  -.007   .006  -.004
OC(z)   .0204  .3102 .6312     .028   .022   .019   .036  -.010   .007  -.006
OD(0)   .1856  .1259 .1960     .032   .027   .041   .020   .005   .003   .007
OD(z)   .1959  .1196 .7033     .029   .023   .033   .021   .002  -.000   .002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Slawsonite
Download hom/slawsonite.pdf
Benna P, Bruno E
Download am/vol86/AM86_690.pdf
American Mineralogist 86 (2001) 690-696
Single-crystal in situ high-temperature structural investigation
on strontium feldspar
Sample T = 510 C
Locality: synthetic
_database_code_amcsd 0002655
8.414 12.970 14.280 90 115.34 90 I2/c
atom        x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      .2738 -.0014 .0659     .045   .021   .058   .047      0   .007  -.003
AlT1(0) .0072  .1764 .1085 .19 .019   .018   .023   .016  -.004   .007  -.001
SiT1(0) .0072  .1764 .1085 .81 .019   .018   .023   .016  -.004   .007  -.001
AlT1(z) .0039  .1789 .6162 .81 .019   .019   .021   .017  -.005   .008  -.002
SiT1(z) .0039  .1789 .6162 .19 .019   .019   .021   .017  -.005   .008  -.002
AlT2(0) .6972  .1211 .1714 .76 .019   .014   .019   .020  -.002   .006  -.000
SiT2(0) .6972  .1211 .1714 .24 .019   .014   .019   .020  -.002   .006  -.000
AlT2(z) .6886  .1137 .6723 .14 .018   .014   .017   .021  -.001   .005  -.001
SiT2(z) .6886  .1137 .6723 .86 .018   .014   .017   .021  -.001   .005  -.001
OA(1)   .0044  .1313 .0006     .030   .038   .035   .018   .000   .014  -.002
OA(2)   .5977 -.0002 .1434     .030   .018   .018   .047  -.000   .006  -.001
OB(0)   .8282  .1292 .1069     .038   .031   .047   .043  -.008   .023  -.002
OB(z)   .8118  .1291 .6120     .040   .031   .047   .050  -.011   .025   .001
OC(0)   .0141  .3001 .1186     .034   .030   .028   .039  -.009   .010  -.004
OC(z)   .0216  .3104 .6321     .035   .027   .026   .046  -.012   .010  -.008
OD(0)   .1843  .1262 .1959     .041   .035   .054   .023   .006   .002   .005
OD(z)   .1960  .1199 .7034     .037   .030   .043   .024   .005  -.000   .002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Slawsonite
Download hom/slawsonite.pdf
Benna P, Bruno E
Download am/vol86/AM86_690.pdf
American Mineralogist 86 (2001) 690-696
Single-crystal in situ high-temperature structural investigation
on strontium feldspar
Sample T = 670 C
Locality: synthetic
_database_code_amcsd 0002656
8.428 12.975 14.291 90 115.34 90 I2/c
atom        x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      .2746 -.0013 .0660     .050   .022   .066   .054   .000   .008  -.004
AlT1(0) .0072  .1770 .1086 .19 .021   .020   .025   .019  -.005   .009  -.001
SiT1(0) .0072  .1770 .1086 .81 .021   .020   .025   .019  -.005   .009  -.001
AlT1(z) .0039  .1790 .6164 .81 .022   .021   .024   .019  -.005   .008  -.001
SiT1(z) .0039  .1790 .6164 .19 .022   .021   .024   .019  -.005   .008  -.001
AlT2(0) .6975  .1213 .1715 .76 .021   .017   .020   .024  -.002   .007  -.002
SiT2(0) .6975  .1213 .1715 .24 .021   .017   .020   .024  -.002   .007  -.002
AlT2(z) .6893  .1136 .6725 .14 .020   .015   .019   .023  -.001   .005   .000
SiT2(z) .6893  .1136 .6725 .86 .020   .015   .019   .023  -.001   .005   .000
OA(1)   .0052  .1319 .0010     .033   .038   .044   .021  -.007   .015  -.008
OA(2)   .5995 -.0005 .1437     .034   .022   .019   .054  -.000   .009  -.003
OB(0)   .8294  .1305 .1068     .042   .036   .048   .052  -.016   .030  -.006
OB(z)   .8107  .1281 .6122     .044   .028   .054   .056  -.009   .024   .005
OC(0)   .0139  .3006 .1186     .037   .032   .030   .044  -.009   .010  -.006
OC(z)   .0229  .3106 .6325     .040   .031   .030   .054  -.016   .012  -.007
OD(0)   .1838  .1265 .1964     .046   .038   .059   .027   .004   .002   .005
OD(z)   .1963  .1203 .7027     .040   .031   .049   .030   .008   .002   .003
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Feldspar
 
Benna P, Bruno E
Download am/vol88/AM88_1532.pdf
American Mineralogist 88 (2003) 1532-1541
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase
transition in Ca0.2Sr0.8Al2Si2O8 feldspar
T = 20 C
_database_code_amcsd 0003177
8.361 12.973 14.259 90.79 115.55 90.62 I-1
atom         x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca(0)    .2694  .0014 .0669  .2 .020   .008   .028   .022   .000   .003  -.011
Sr(0)    .2694  .0014 .0669  .8 .020   .008   .028   .022   .000   .003  -.011
Ca(z)    .2678  .0072 .5629  .2 .016   .008   .020   .017   .000   .004  -.003
Sr(z)    .2678  .0072 .5629  .8 .016   .008   .020   .017   .000   .004  -.003
SiT1(00) .0070  .1698 .1072     .010   .009   .011   .009  -.003   .005   .000
AlT1(0z) .0029  .1737 .6154     .009   .010   .010   .009  -.002   .005   .000
AlT1(m0) .0022  .8194 .1176     .009   .010   .010   .009   .001   .005   .000
SiT1(mz) .0068  .8222 .6095     .009   .009   .011   .008   .002   .004   .001
AlT2(00) .6919  .1185 .1669     .009   .008   .008   .010   .000   .003   .000
SiT2(0z) .6830  .1112 .6681     .009   .008   .008   .011  -.001   .004   .000
SiT2(m0) .6844  .8852 .1754     .009   .008   .008   .010   .000   .004   .000
AlT2(mz) .6927  .8781 .6724     .008   .008   .008   .010   .000   .004   .000
OA(10)   .0064  .1279 .9978     .014   .017   .017   .009  -.003   .007   .000
OA(1z)   .9945  .1287 .4966     .013   .014   .016   .010   .002   .008   .002
OA(20)   .5884  .9965 .1421     .013   .012   .008   .018   .000   .006   .002
OA(2z)   .5874  .9967 .6422     .013   .010   .008   .019  -.001   .006   .002
OB(00)   .8251  .1190 .1012     .016   .013   .017   .021  -.004   .011  -.001
OB(0z)   .8061  .1194 .6067     .015   .015   .017   .018  -.003   .011   .000
OB(m0)   .8100  .8675 .1174     .018   .015   .022   .024   .003   .013  -.003
OB(mz)   .8275  .8679 .6087     .016   .014   .020   .018   .005   .011   .002
OC(00)   .0148  .2924 .1242     .016   .015   .013   .019  -.006   .007  -.004
OC(0z)   .0193  .3047 .6381     .016   .015   .012   .020  -.006   .007  -.003
OC(m0)   .0144  .6865 .1229     .015   .014   .011   .019   .003   .006   .001
OC(mz)   .0094  .6979 .6119     .015   .013   .012   .018   .002   .005   .000
OD(00)   .1857  .1184 .1930     .017   .014   .023   .012   .001   .004   .002
OD(0z)   .1979  .1132 .6995     .016   .015   .017   .012   .002   .001   .002
OD(m0)   .1991  .8768 .2078     .015   .012   .017   .013   .000   .001  -.001
OD(mz)   .1877  .8697 .7000     .018   .015   .021   .015  -.002   .002  -.003
Download AMC data (View Text File)
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Feldspar
 
Benna P, Bruno E
Download am/vol88/AM88_1532.pdf
American Mineralogist 88 (2003) 1532-1541
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase
transition in Ca0.2Sr0.8Al2Si2O8 feldspar
T = 200 C
_database_code_amcsd 0003178
8.367 12.968 14.266 90.68 115.51 90.54 I-1
atom         x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca(0)    .2704  .0010 .0667  .2 .027   .011   .037   .029   .000   .005  -.012
Sr(0)    .2704  .0010 .0667  .8 .027   .011   .037   .029   .000   .005  -.012
Ca(z)    .2690  .0059 .5640  .2 .023   .012   .029   .025   .001   .006  -.004
Sr(z)    .2690  .0059 .5640  .8 .023   .012   .029   .025   .001   .006  -.004
SiT1(00) .0073  .1708 .1074     .013   .014   .015   .011  -.003   .007  -.001
AlT1(0z) .0031  .1746 .6155     .012   .012   .013   .012  -.002   .006   .000
AlT1(m0) .0021  .8197 .1173     .012   .013   .014   .011   .002   .006   .000
SiT1(mz) .0069  .8224 .6093     .012   .013   .014   .011   .003   .006   .001
AlT2(00) .6933  .1190 .1679     .012   .010   .012   .013   .000   .005   .000
SiT2(0z) .6838  .1115 .6687     .012   .011   .011   .014  -.001   .006  -.001
SiT2(m0) .6852  .8854 .1748     .012   .010   .011   .013   .001   .004   .000
AlT2(mz) .6936  .8782 .6724     .012   .012   .011   .013   .001   .006   .000
OA(10)   .0059  .1285 .9983     .018   .023   .019   .013  -.001   .010   .001
OA(1z)   .9953  .1292 .4972     .018   .022   .022   .012   .001   .010   .002
OA(20)   .5906  .9970 .1425     .017   .016   .010   .025   .001   .008   .002
OA(2z)   .5893  .9974 .6421     .017   .011   .011   .027  -.001   .005   .000
OB(00)   .8265  .1205 .1024     .022   .019   .025   .026  -.005   .014  -.001
OB(0z)   .8069  .1207 .6076     .022   .020   .024   .027  -.005   .016   .001
OB(m0)   .8099  .8677 .1165     .024   .018   .029   .031   .005   .016  -.003
OB(mz)   .8286  .8683 .6091     .022   .021   .026   .027   .007   .016   .003
OC(00)   .0142  .2933 .1232     .021   .021   .018   .025  -.006   .010  -.005
OC(0z)   .0195  .3059 .6369     .021   .019   .016   .030  -.007   .011  -.006
OC(m0)   .0153  .6868 .1242     .020   .018   .015   .025   .005   .008   .002
OC(mz)   .0115  .6986 .6129     .021   .020   .017   .025   .005   .008   .002
OD(00)   .1865  .1201 .1935     .024   .021   .031   .016   .003   .004   .002
OD(0z)   .1966  .1144 .6999     .021   .018   .024   .015   .002   .002   .001
OD(m0)   .1987  .8775 .2071     .022   .018   .026   .016  -.001   .001  -.002
OD(mz)   .1879  .8704 .6991     .024   .018   .029   .017  -.001   .002  -.003
Download AMC data (View Text File)
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Feldspar
 
Benna P, Bruno E
Download am/vol88/AM88_1532.pdf
American Mineralogist 88 (2003) 1532-1541
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase
transition in Ca0.2Sr0.8Al2Si2O8 feldspar
T = 400 C
_database_code_amcsd 0003179
8.377 12.971 14.275 90.46 115.49 90.30 I-1
atom         x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca(0)    .2713 -.0002 .0665  .2 .034   .017   .045   .037   .000   .008  -.011
Sr(0)    .2713 -.0002 .0665  .8 .034   .017   .045   .037   .000   .008  -.011
Ca(z)    .2702  .0041 .5650  .2 .031   .017   .040   .034   .001   .009  -.001
Sr(z)    .2702  .0041 .5650  .8 .031   .017   .040   .034   .001   .009  -.001
SiT1(00) .0074  .1725 .1079     .016   .017   .019   .015  -.003   .009  -.001
AlT1(0z) .0027  .1762 .6158     .016   .019   .016   .017  -.003   .010  -.001
AlT1(m0) .0024  .8205 .1168     .016   .019   .018   .015   .004   .010   .001
SiT1(mz) .0073  .8234 .6090     .016   .017   .018   .015   .004   .009   .000
AlT2(00) .6945  .1197 .1691     .016   .015   .016   .018  -.001   .008   .000
SiT2(0z) .6846  .1123 .6700     .015   .014   .013   .018  -.001   .007  -.001
SiT2(m0) .6862  .8860 .1740     .016   .016   .013   .018   .002   .007   .000
AlT2(mz) .6942  .8786 .6717     .016   .016   .015   .018   .001   .009   .000
OA(10)   .0054  .1292 .9994     .024   .031   .026   .018   .000   .014  -.001
OA(1z)   .9950  .1298 .4979     .025   .033   .029   .017   .002   .016   .002
OA(20)   .5920  .9983 .1431     .024   .020   .014   .036   .002   .009   .003
OA(2z)   .5913  .9985 .6426     .024   .019   .014   .036   .000   .010   .000
OB(00)   .8278  .1237 .1039     .029   .025   .035   .033  -.009   .020  -.004
OB(0z)   .8079  .1241 .6097     .031   .027   .034   .041  -.005   .024   .002
OB(m0)   .8100  .8696 .1149     .034   .029   .040   .043   .008   .026  -.002
OB(mz)   .8292  .8700 .6080     .029   .025   .035   .035   .008   .021   .003
OC(00)   .0147  .2953 .1212     .030   .033   .019   .038  -.008   .015  -.005
OC(0z)   .0188  .3080 .6340     .028   .025   .020   .038  -.008   .014  -.005
OC(m0)   .0172  .6879 .1274     .028   .024   .021   .035   .008   .009   .002
OC(mz)   .0127  .7001 .6150     .029   .032   .019   .035   .008   .013   .004
OD(00)   .1863  .1221 .1943     .032   .028   .041   .024   .006   .008   .004
OD(0z)   .1966  .1161 .7012     .029   .030   .031   .020   .004   .004   .003
OD(m0)   .1977  .8794 .2058     .030   .025   .034   .024  -.001   .004  -.004
OD(mz)   .1877  .8717 .6979     .032   .028   .042   .020  -.001   .004  -.005
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Feldspar
 
Benna P, Bruno E
Download am/vol88/AM88_1532.pdf
American Mineralogist 88 (2003) 1532-1541
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase
transition in Ca0.2Sr0.8Al2Si2O8 feldspar
T = 500 C
_database_code_amcsd 0003180
8.379 12.971 14.278 90.11 115.48 90.06 I-1
atom         x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca(0)    .2715 -.0017 .0661  .2 .037   .019   .046   .043  -.001   .011  -.007
Sr(0)    .2715 -.0017 .0661  .8 .037   .019   .046   .043  -.001   .011  -.007
Ca(z)    .2714  .0024 .5660  .2 .037   .020   .046   .042  -.001   .011   .001
Sr(z)    .2714  .0024 .5660  .8 .037   .020   .046   .042  -.001   .011   .001
SiT1(00) .0073  .1746 .1082     .019   .020   .020   .021  -.005   .012  -.003
AlT1(0z) .0027  .1777 .6163     .019   .018   .020   .021  -.004   .011  -.002
AlT1(m0) .0025  .8218 .1166     .019   .020   .019   .021   .003   .012   .000
SiT1(mz) .0075  .8250 .6085     .019   .018   .021   .019   .003   .010  -.001
AlT2(00) .6950  .1207 .1706     .018   .016   .018   .022  -.002   .009  -.002
SiT2(0z) .6853  .1130 .6719     .018   .017   .014   .025  -.003   .010  -.003
SiT2(m0) .6858  .8867 .1724     .018   .017   .015   .024   .001   .010  -.001
AlT2(mz) .6948  .8792 .6707     .018   .017   .017   .023  -.001   .010  -.002
OA(10)   .0047  .1294 .0004     .027   .036   .031   .019  -.001   .017  -.004
OA(1z)   .9950  .1296 .4992     .028   .035   .031   .021   .002   .016   .001
OA(20)   .5919  .0002 .1423     .028   .023   .015   .045   .000   .014  -.001
OA(2z)   .5917      0 .6425     .027   .019   .014   .045  -.003   .011  -.003
OB(00)   .8295  .1261 .1062     .035   .029   .039   .045  -.009   .025  -.005
OB(0z)   .8092  .1267 .6117     .036   .029   .040   .051  -.008   .027   .001
OB(m0)   .8094  .8723 .1130     .037   .031   .039   .050   .011   .026  -.004
OB(mz)   .8291  .8730 .6065     .036   .034   .040   .049   .011   .032   .001
OC(00)   .0136  .2972 .1190     .033   .031   .023   .043  -.008   .014  -.006
OC(0z)   .0189  .3096 .6317     .032   .029   .023   .045  -.008   .016  -.007
OC(m0)   .0174  .6896 .1302     .032   .028   .022   .047   .005   .017   .002
OC(mz)   .0132  .7020 .6176     .034   .033   .025   .041   .007   .015   .004
OD(00)   .1870  .1246 .1958     .038   .037   .045   .028   .005   .010   .004
OD(0z)   .1965  .1187 .7026     .034   .026   .041   .024  -.001   .002   .000
OD(m0)   .1974  .8803 .2038     .034   .032   .038   .025  -.004   .005  -.007
OD(mz)   .1867  .8743 .6960     .036   .027   .048   .025  -.003   .003  -.008
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feldspar
 
Benna P, Bruno E
Download am/vol88/AM88_1532.pdf
American Mineralogist 88 (2003) 1532-1541
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase
transition in Ca0.2Sr0.8Al2Si2O8 feldspar
T = 620 C
_database_code_amcsd 0003181
8.386 12.970 14.283 90 115.46 90 I2/c
atom         x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       .2723 -.0019 .0661  .2 .041   .022   .055   .043   .000   .009  -.004
Sr       .2723 -.0019 .0661  .8 .041   .022   .055   .043   .000   .009  -.004
SiT1(0)  .0070  .1752 .1082     .020   .021   .025   .017  -.004   .010  -.001
AlT1(z)  .0030  .1781 .6165     .020   .022   .023   .018  -.004   .010  -.001
AlT2(0)  .6955  .1209 .1708     .020   .019   .020   .021  -.001   .008   .000
SiT2(z)  .6863  .1133 .6722     .019   .018   .018   .022  -.002   .008  -.001
OA(1)    .0053  .1303 .0005     .030   .039   .036   .018  -.001   .016  -.002
OA(2)    .5930  .0002 .1426     .030   .023   .019   .044   .001   .010   .001
OB(0)    .8290  .1273 .1062     .038   .032   .045   .045  -.012   .025  -.005
OB(z)    .8098  .1276 .6125     .040   .030   .050   .051  -.007   .027   .005
OC(0)    .0137  .2985 .1180     .037   .035   .028   .043  -.010   .013  -.007
OC(z)    .0198  .3100 .6311     .035   .030   .026   .048  -.011   .016  -.006
OD(0)    .1865  .1252 .1957     .042   .035   .055   .024   .005   .003   .005
OD(z)    .1979  .1190 .7038     .039   .035   .043   .027   .003   .004   .002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Slawsonite
Download hom/slawsonite.pdf
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
Download am/vol92/AM92_1190.pdf
American Mineralogist 92 (2007) 1190-1199
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
The I-1-I2/c and I2/c-P2_1/c phase transitions
Sample: P = 0.0001 GPa
Locality: synthetic
_database_code_amcsd 0004407
8.370 12.967 14.262 90.58 115.55 90.44 I-1
atom      x     y     z occ Uiso
Ca0   .2691 .0001 .0669  .2 .015
Sr0   .2691 .0001 .0669  .8 .015
Caz   .2676 .0064 .5636  .2 .009
Srz   .2676 .0064 .5636  .8 .009
Si100 .0070 .1710 .1070     .008
Al10z .0023 .1759 .6156     .009
Al1m0 .0030 .8182 .1179     .009
Si1mz .0062 .8246 .6088     .011
Al200 .6920 .1197 .1675     .009
Si20z .6827 .1124 .6687     .012
Si2m0 .6839 .8847 .1745     .011
Al2mz .6933 .8792 .6722     .010
OA10  .0069 .1305 .9998     .015
OA1z  .9948 .1283 .4969     .015
OA20  .5885 .9997 .1420     .017
OA2z  .5875 .0002 .6414     .012
OB00  .8260 .1224 .1011     .014
OB0z  .8078 .1189 .6073     .015
OBm0  .8071 .8698 .1151     .019
OBmz  .8263 .8658 .6077     .015
OC00  .0162 .2951 .1241     .020
OC0z  .0188 .3081 .6372     .020
OCm0  .0137 .6886 .1248     .021
OCmz  .0094 .6979 .6119     .015
OD00  .1856 .1182 .1939     .016
OD0z  .1973 .1093 .7004     .020
ODm0  .1976 .8779 .2070     .012
ODmz  .1871 .8716 .6986     .018
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
Download am/vol92/AM92_1190.pdf
American Mineralogist 92 (2007) 1190-1199
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
The I-1-I2/c and I2/c-P2_1/c phase transitions
Sample: P = 3.2 GPa
Locality: synthetic
_database_code_amcsd 0004408
8.256 12.842 14.088 90.51 115.38 90.88 I-1
atom      x     y     z occ Uiso
Ca0   .2675 .0033 .0674  .2 .019
Sr0   .2675 .0033 .0674  .8 .019
Caz   .2662 .0059 .5645  .2 .013
Srz   .2662 .0059 .5645  .8 .013
Si100 .0023 .1691 .1061     .010
Al10z .9992 .1725 .6154     .009
Al1m0 .9985 .8182 .1176     .011
Si1mz .0016 .8193 .6084     .009
Al200 .6881 .1198 .1674     .010
Si20z .6790 .1105 .6678     .011
Si2m0 .6793 .8841 .1751     .010
Al2mz .6883 .8765 .6724     .010
OA10  .0031 .1260 .9972     .013
OA1z  .9964 .1336 .4981     .014
OA20  .5829 .9929 .1433     .019
OA2z  .5829 .9972 .6450     .018
OB00  .8209 .1125 .0991     .019
OB0z  .7996 .1188 .6028     .017
OBm0  .8018 .8642 .1127     .017
OBmz  .8210 .8674 .6068     .017
OC00  .0043 .2967 .1214     .012
OC0z  .0116 .3035 .6397     .017
OCm0  .0072 .6864 .1228     .019
OCmz  .9987 .6913 .6116     .018
OD00  .1860 .1209 .1925     .015
OD0z  .1966 .1167 .7001     .018
ODm0  .1977 .8768 .2084     .017
ODmz  .1877 .8713 .6994     .017
Download AMC data (View Text File)
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
Download am/vol92/AM92_1190.pdf
American Mineralogist 92 (2007) 1190-1199
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
The I-1-I2/c and I2/c-P2_1/c phase transitions
Sample: P = 4.4 GPa
Locality: synthetic
_database_code_amcsd 0004409
8.209 12.780 14.009 90 115.27 90 I2/c
atom     x      y     z occ Uiso
Ca   .2672 -.0005 .0671  .2 .029
Sr   .2672 -.0005 .0671  .8 .029
Si10 .9993  .1743 .1071     .037
Al1z .9964  .1785 .6169     .033
Al20 .6870  .1198 .1703     .035
Si2z .6794  .1125 .6721     .036
OA1  .0019  .1267 .9978     .038
OA2  .5857  .9950 .1473     .046
OB0  .8185  .1205 .1025     .042
OBz  .7976  .1255 .6075     .044
OC0  .0012  .3004 .1177     .047
OCz  .0051  .3135 .6311     .056
OD0  .1864  .1248 .1975     .047
ODz  .1932  .1207 .7052     .048
Download AMC data (View Text File)
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
Download am/vol92/AM92_1190.pdf
American Mineralogist 92 (2007) 1190-1199
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
The I-1-I2/c and I2/c-P2_1/c phase transitions
Sample: P = 6.2 GPa
Locality: synthetic
_database_code_amcsd 0004410
8.128 12.671 13.866 90 114.98 90 I2/c
atom     x     y     z occ Uiso
Ca   .2654 .0009 .0685  .2 .043
Sr   .2654 .0009 .0685  .8 .043
Si10 .9955 .1773 .1070     .044
Al1z .9933 .1755 .6176     .043
Al20 .6844 .1243 .1707     .041
Si2z .6748 .1131 .6720     .044
OA1  .0027 .1293 .9981     .034
OA2  .5812 .0033 .1482     .055
OB0  .8186 .1180 .1045     .060
OBz  .7940 .1171 .6048     .054
OC0  .9884 .3034 .1141     .054
OCz  .9955 .3115 .6267     .055
OD0  .1832 .1249 .1943     .054
ODz  .1915 .1171 .7020     .056
Download AMC data (View Text File)
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Slawsonite
Download hom/slawsonite.pdf
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
Download am/vol92/AM92_1190.pdf
American Mineralogist 92 (2007) 1190-1199
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
The I-1-I2/c and I2/c-P2_1/c phase transitions
Sample: P = 7.4 GPa
Locality: synthetic
_database_code_amcsd 0004411
8.116 12.410 13.728 90 114.19 90 P2_1/c
atom      x     y     z occ Uiso
Ca0   .5393 .2571 .3142  .2 .015
Sr0   .5393 .2571 .3142  .8 .015
Cai   .0120 .7417 .8229  .2 .015
Sri   .0120 .7417 .8229  .8 .015
Si100 .2475 .4267 .3635     .012
Si10i .7281 .9395 .8447     .012
Al1z0 .2520 .4135 .8732     .014
Al1zi .7399 .9518 .3602     .010
Al200 .9410 .3890 .4291     .011
Al20i .4274 .8679 .9164     .011
Si2z0 .9393 .3521 .9351     .012
Si2zi .4207 .8726 .4235     .012
OA10  .2652 .3856 .2532     .013
OA1i  .7568 .8757 .7506     .019
OA20  .8621 .2711 .4515     .025
OA2i  .3275 .7406 .8725     .023
OB00  .0638 .3729 .3516     .019
OB0i  .5478 .8832 .8410     .027
OBz0  .0571 .3506 .8671     .023
OBzi  .5575 .8982 .3700     .027
OC00  .2373 .5578 .3785     .021
OC0i  .7217 .0710 .8394     .029
OCz0  .2521 .5498 .8946     .025
OCzi  .7545 .0951 .3674     .018
OD00  .4333 .3764 .4524     .025
OD0i  .9077 .9128 .9466     .039
ODz0  .4647 .3613 .9510     .018
ODzi  .9423 .8911 .4473     .018
Download AMC data (View Text File)
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Anorthoclase
Download hom/anorthoclase.pdf
Nestola F, Curetti N, Benna P, Ivaldi G, Angel R, Bruno E
Download cm/vol46/CM46_1443.pdf
The Canadian Mineralogist 46 (2008) 1443-1454
Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase
Locality: Torino, Italy
Note: P = 0.0001 GPa
_database_code_amcsd 0006199
8.278 12.949 7.145 91.79 116.16 90.19 C-1
atom     x     y     z  occ Uiso
Na   .2751 .0027 .1369  .63 .079
K    .2751 .0027 .1369  .27 .079
Ca   .2751 .0027 .1369  .10 .079
Al10 .0061 .1737 .2165 .275 .023
Si10 .0061 .1737 .2165 .725 .023
Al1m .0043 .8178 .2213 .275 .028
Si1m .0043 .8178 .2213 .725 .028
Al20 .6969 .1139 .3392 .275 .024
Si20 .6969 .1139 .3392 .725 .024
Al2m .6938 .8814 .3492 .275 .022
Si2m .6938 .8814 .3492 .725 .022
OA1  .0002 .1362 .9934      .046
OA2  .6040 .9967 .2817      .034
OB0  .8262 .1246 .2218      .032
OBm  .8250 .8590 .2378      .037
OC0  .0212 .2998 .2625      .036
OCm  .0262 .6915 .2441      .044
OD0  .1889 .1184 .3917      .034
ODm  .1861 .8727 .4065      .049
Download AMC data (View Text File)
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Anorthoclase
Download hom/anorthoclase.pdf
Nestola F, Curetti N, Benna P, Ivaldi G, Angel R, Bruno E
Download cm/vol46/CM46_1443.pdf
The Canadian Mineralogist 46 (2008) 1443-1454
Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase
Locality: Torino, Italy
Note: P = 4.7 GPa
_database_code_amcsd 0006200
7.959 12.767 6.999 92.51 116.50 90.69 C-1
atom      x     y     z  occ Uiso
Na    .2616 .0050 .1356  .63 .053
K     .2616 .0050 .1356  .27 .053
Ca    .2616 .0050 .1356  .10 .053
Al10  .0018 .1674 .2165 .275 .021
Si10  .0018 .1674 .2165 .725 .021
Al1m -.0033 .8147 .2247 .275 .021
Si1m -.0033 .8147 .2247 .725 .021
Al20  .6850 .1085 .3246 .275 .022
Si20  .6850 .1085 .3246 .725 .022
Al2m  .6767 .8771 .3568 .275 .021
Si2m  .6767 .8771 .3568 .725 .021
OA1   .0025 .1351 .9830      .036
OA2   .5795 .9917 .2826      .026
OB0   .8087 .1058 .1960      .037
OBm   .8072 .8503 .2329      .035
OC0  -.0012 .2925 .2719      .026
OCm   .0093 .6873 .2235      .024
OD0   .1901 .1181 .3925      .043
ODm   .1798 .8706 .4101      .030
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthoclase
Download hom/anorthoclase.pdf
Nestola F, Curetti N, Benna P, Ivaldi G, Angel R, Bruno E
Download cm/vol46/CM46_1443.pdf
The Canadian Mineralogist 46 (2008) 1443-1454
Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase
Locality: Torino, Italy
Note: P = 6.0 GPa
_database_code_amcsd 0006201
7.890 12.720 6.960 92.46 116.53 90.83 C-1
atom      x     y     z  occ Uiso
Na    .2593 .0050 .1378  .63 .050
K     .2593 .0050 .1378  .27 .050
Ca    .2593 .0050 .1378  .10 .050
Al10  .0018 .1666 .2208 .275 .024
Si10  .0018 .1666 .2208 .725 .024
Al1m -.0071 .8144 .2222 .275 .020
Si1m -.0071 .8144 .2222 .725 .020
Al20  .6838 .1074 .3259 .275 .022
Si20  .6838 .1074 .3259 .725 .022
Al2m  .6716 .8764 .3518 .275 .022
Si2m  .6716 .8764 .3518 .725 .022
OA1   .0047 .1351 .9871      .036
OA2   .5737 .9908 .2765      .026
OB0   .8045 .1038 .1936      .048
OBm   .7976 .8494 .2201      .040
OC0  -.0095 .2925 .2700      .026
OCm   .0052 .6872 .2226      .030
OD0   .1928 .1179 .3950      .049
ODm   .1752 .8713 .4119      .038
Download AMC data (View Text File)
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Bytownite
Download hom/bytownite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020638
8.188 12.822 14.196 93.37 116.04 90.87 P-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .86 .020   .010   .034   .015  -.005   .007  -.010
Na000     .2669 .9838 .0876 .14 .020   .010   .034   .015  -.005   .007  -.010
Ca0i0     .7742 .5336 .5460 .86 .024   .013   .029   .024   .005   .004  -.009
Na0i0     .7742 .5336 .5460 .14 .024   .013   .029   .024   .005   .004  -.009
Caz00     .2680 .0310 .5436 .86 .008   .009   .009   .005   .004   .003   .004
Naz00     .2680 .0310 .5436 .14 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7648 .5146 .0641 .86 .042   .006   .062   .041   .005   .001  -.038
Nazi0     .7648 .5146 .0641 .14 .042   .006   .062   .041   .005   .001  -.038
AlT10000  .0030 .1624 .1035 .05 .014
SiT10000  .0030 .1624 .1035 .95 .014
AlT100i0  .5107 .6555 .6046 .05 .003
SiT100i0  .5107 .6555 .6046 .95 .003
AlT10z00  .0063 .1614 .6110     .008
AlT10zi0  .4992 .6681 .1118     .006
AlT1m000  .9929 .8119 .1178 .87 .009
SiT1m000  .9929 .8119 .1178 .13 .009
AlT1m0i0  .5057 .3187 .6199 .87 .005
SiT1m0i0  .5057 .3187 .6199 .13 .005
SiT1mz00  .0114 .8217 .6133     .007
SiT1mzi0  .4992 .3132 .1114     .008
AlT20000  .6876 .1109 .1524 .81 .007
SiT20000  .6876 .1109 .1524 .19 .007
AlT200i0  .1877 .6128 .6625 .81 .008
SiT200i0  .1877 .6128 .6625 .19 .008
AlT20z00  .6790 .1053 .6645 .02 .008
SiT20z00  .6790 .1053 .6645 .98 .008
AlT20zi0  .1762 .6064 .1532 .02 .009
SiT20zi0  .1762 .6064 .1532 .98 .009
AlT2m000  .6769 .8831 .1875 .05 .009
SiT2m000  .6769 .8831 .1875 .95 .009
AlT2m0i0  .1771 .3803 .6767 .05 .007
SiT2m0i0  .1771 .3803 .6767 .95 .007
AlT2mz00  .6801 .8727 .6714 .91 .008
SiT2mz00  .6801 .8727 .6714 .09 .008
AlT2mzi0  .1862 .3777 .1804 .91 .007
SiT2mzi0  .1862 .3777 .1804 .09 .007
OA1000    .0250 .1250 .9950     .011
OA10i0    .4935 .6270 .4881     .014
OAlz00    .9756 .1237 .4830     .012
OAlzi0    .5086 .6281 .9922     .013
OA2000    .5774 .9924 .1455     .008
OA20i0    .0768 .4883 .6341     .013
OA2z00    .5736 .9901 .6311     .013
OA2zi0    .0727 .4928 .1425     .007
OB0000    .8103 .1041 .0804     .013
OB00i0    .3279 .5980 .5988     .012
OB0z00    .8110 .0995 .6057     .010
OB0zi0    .2918 .6039 .0852     .015
OBm000    .8206 .8522 .1426     .014
OBm0i0    .3003 .3579 .6156     .018
OBmz00    .8095 .8545 .6023     .012
OBmzi0    .3309 .3566 .1239     .020
OC0000    .0057 .2819 .1298     .010
OC00i0    .5204 .7781 .6423     .017
OC0z00    .0189 .2927 .6455     .016
OC0zi0    .5098 .7969 .1503     .013
OCm000    .0024 .6773 .1110     .013
OCm0i0    .5148 .1841 .6054     .011
OCmz00    .0183 .6955 .5976     .014
OCmzi0    .4992 .1886 .1023     .010
OD0000    .1811 .1053 .1922     .013
OD00i0    .6979 .6075 .6839     .014
OD0z00    .2142 .1044 .6852     .010
OD0zi0    .6930 .6035 .1959     .015
ODm000    .2079 .8722 .2108     .011
ODm0i0    .6908 .3653 .7254     .018
ODmz00    .1721 .8581 .7197     .012
ODmzi0    .6966 .3662 .2051     .019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bytownite
Download hom/bytownite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020639
8.188 12.822 14.196 93.37 116.04 90.87 I-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .43 .020   .011   .034   .015  -.005   .007  -.009
Na000     .2669 .9838 .0876 .07 .020   .011   .034   .015  -.005   .007  -.009
Ca0i0     .7741 .5336 .5460 .43 .024   .014   .030   .024   .005   .004  -.009
Na0i0     .7741 .5336 .5460 .07 .024   .014   .030   .024   .005   .004  -.009
Caz00     .2679 .0310 .5435 .43 .008   .009   .009   .005   .004   .003   .004
Naz00     .2679 .0310 .5435 .07 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7650 .5146 .0642 .43 .042   .007   .064   .041   .005   .001  -.038
Nazi0     .7650 .5146 .0642 .07 .042   .007   .064   .041   .005   .001  -.038
AlT10000  .0074 .1585 .1042 .05 .009   .009   .010   .008  -.001   .004   .001
SiT10000  .0074 .1585 .1042 .95 .009   .009   .010   .008  -.001   .004   .001
AlT10z00  .0027 .1648 .6114     .008   .009   .009   .008  -.001   .004   .001
AlT1m000 -.0004 .8154 .1189 .87 .009   .010   .009   .007   .002   .004   .001
SiT1m000 -.0004 .8154 .1189 .13 .009   .010   .009   .007   .002   .004   .001
SiT1mz00  .0054 .8175 .6124     .009   .010   .011   .007   .003   .004   .001
AlT20000  .6877 .1119 .1574 .81 .010   .008   .008   .012      0   .004   .001
SiT20000  .6877 .1119 .1574 .19 .010   .008   .008   .012      0   .004   .001
AlT20z00  .6776 .1058 .6590 .02 .011   .009   .008   .014      0   .004      0
SiT20z00  .6776 .1058 .6590 .98 .011   .009   .008   .014      0   .004      0
AlT2m000  .6770 .8817 .1820 .05 .010   .009   .008   .013   .002   .004   .003
SiT2m000  .6770 .8817 .1820 .95 .010   .009   .008   .013   .002   .004   .003
AlT2mz00  .6832 .8752 .6759 .91 .009   .009   .009   .011   .001   .005   .003
SiT2mz00  .6832 .8752 .6759 .09 .009   .009   .009   .011   .001   .005   .003
OA1000    .0098 .1259 .9916     .018   .028   .018   .010      0   .011   .002
OA1z00   -.0078 .1259 .4876     .018   .030   .017   .013   .004   .014   .003
OA2000    .5771 .9904 .1401     .013   .011   .011   .015   .003   .005   .004
OA2z00    .5730 .9915 .6373     .012   .010   .010   .016      0   .004   .002
OB0000    .8191 .1010 .0897     .019   .015   .015   .029  -.005   .014  -.004
OB0z00    .8019 .1015 .5960     .019   .017   .015   .032  -.003   .016  -.002
OBm000    .8107 .8550 .1294     .029   .020   .021   .054   .002   .024  -.005
OBmz00    .8193 .8554 .6122     .024   .019   .022   .038   .005   .020   .002
OC0000    .0126 .2800 .1357     .016   .016   .012   .020  -.002   .009  -.001
OC0z00    .0142 .2948 .6479     .016   .016   .013   .018  -.003   .007  -.000
OCm000    .0087 .6807 .1083     .015   .013   .013   .015   .004   .004   .001
OCmz00    .0084 .6919 .6001     .016   .018   .013   .015   .004   .004  -.000
OD0000    .1894 .1063 .1881     .018   .015   .017   .014   .003  -.000   .002
OD0z00    .2041 .1040 .6903     .020   .018   .014   .016   .002  -.002   .002
ODm000    .2000 .8690 .2177     .024   .016   .020   .021   .002  -.005  -.006
ODmz00    .1833 .8620 .7128     .029   .023   .023   .022   .004  -.008  -.007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020640
8.188 12.822 14.196 93.37 116.04 90.87 P-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .86 .020   .010   .034   .015  -.005   .007  -.010
Na000     .2669 .9838 .0876 .14 .020   .010   .034   .015  -.005   .007  -.010
Ca0i0     .7742 .5336 .5460 .86 .024   .013   .029   .024   .005   .004  -.009
Na0i0     .7742 .5336 .5460 .14 .024   .013   .029   .024   .005   .004  -.009
Caz00     .2680 .0310 .5436 .86 .008   .009   .009   .005   .004   .003   .004
Naz00     .2680 .0310 .5436 .14 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7648 .5146 .0641 .86 .042   .006   .062   .041   .005   .001  -.038
Nazi0     .7648 .5146 .0641 .14 .042   .006   .062   .041   .005   .001  -.038
AlT10000  .0030 .1624 .1035 .05 .014
SiT10000  .0030 .1624 .1035 .95 .014
AlT100i0  .5107 .6555 .6046 .05 .003
SiT100i0  .5107 .6555 .6046 .95 .003
AlT10z00  .0063 .1614 .6110     .008
AlT10zi0  .4992 .6681 .1118     .006
AlT1m000  .9929 .8119 .1178 .87 .009
SiT1m000  .9929 .8119 .1178 .13 .009
AlT1m0i0  .5057 .3187 .6199 .87 .005
SiT1m0i0  .5057 .3187 .6199 .13 .005
SiT1mz00  .0114 .8217 .6133     .007
SiT1mzi0  .4992 .3132 .1114     .008
AlT20000  .6876 .1109 .1524 .81 .007
SiT20000  .6876 .1109 .1524 .19 .007
AlT200i0  .1877 .6128 .6625 .81 .008
SiT200i0  .1877 .6128 .6625 .19 .008
AlT20z00  .6790 .1053 .6645 .02 .008
SiT20z00  .6790 .1053 .6645 .98 .008
AlT20zi0  .1762 .6064 .1532 .02 .009
SiT20zi0  .1762 .6064 .1532 .98 .009
AlT2m000  .6769 .8831 .1875 .05 .009
SiT2m000  .6769 .8831 .1875 .95 .009
AlT2m0i0  .1771 .3803 .6767 .05 .007
SiT2m0i0  .1771 .3803 .6767 .95 .007
AlT2mz00  .6801 .8727 .6714 .91 .008
SiT2mz00  .6801 .8727 .6714 .09 .008
AlT2mzi0  .1862 .3777 .1804 .91 .007
SiT2mzi0  .1862 .3777 .1804 .09 .007
OA1000    .0250 .1250 .9950     .011
OA10i0    .4935 .6270 .4881     .014
OAlz00    .9756 .1237 .4830     .012
OAlzi0    .5086 .6281 .9922     .013
OA2000    .5774 .9924 .1455     .008
OA20i0    .0768 .4883 .6341     .013
OA2z00    .5736 .9901 .6311     .013
OA2zi0    .0727 .4928 .1425     .007
OB0000    .8103 .1041 .0804     .013
OB00i0    .3279 .5980 .5988     .012
OB0z00    .8110 .0995 .6057     .010
OB0zi0    .2918 .6039 .0852     .015
OBm000    .8206 .8522 .1426     .014
OBm0i0    .3003 .3579 .6156     .018
OBmz00    .8095 .8545 .6023     .012
OBmzi0    .3309 .3566 .1239     .020
OC0000    .0057 .2819 .1298     .010
OC00i0    .5204 .7781 .6423     .017
OC0z00    .0189 .2927 .6455     .016
OC0zi0    .5098 .7969 .1503     .013
OCm000    .0024 .6773 .1110     .013
OCm0i0    .5148 .1841 .6054     .011
OCmz00    .0183 .6955 .5976     .014
OCmzi0    .4992 .1886 .1023     .010
OD0000    .1811 .1053 .1922     .013
OD00i0    .6979 .6075 .6839     .014
OD0z00    .2142 .1044 .6852     .010
OD0zi0    .6930 .6035 .1959     .015
ODm000    .2079 .8722 .2108     .011
ODm0i0    .6908 .3653 .7254     .018
ODmz00    .1721 .8581 .7197     .012
ODmzi0    .6966 .3662 .2051     .019
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Anorthite
Download hom/anorthite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020641
8.188 12.822 14.196 93.37 116.04 90.87 I-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .43 .020   .011   .034   .015  -.005   .007  -.009
Na000     .2669 .9838 .0876 .07 .020   .011   .034   .015  -.005   .007  -.009
Ca0i0     .7741 .5336 .5460 .43 .024   .014   .030   .024   .005   .004  -.009
Na0i0     .7741 .5336 .5460 .07 .024   .014   .030   .024   .005   .004  -.009
Caz00     .2679 .0310 .5435 .43 .008   .009   .009   .005   .004   .003   .004
Naz00     .2679 .0310 .5435 .07 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7650 .5146 .0642 .43 .042   .007   .064   .041   .005   .001  -.038
Nazi0     .7650 .5146 .0642 .07 .042   .007   .064   .041   .005   .001  -.038
AlT10000  .0074 .1585 .1042 .05 .009   .009   .010   .008  -.001   .004   .001
SiT10000  .0074 .1585 .1042 .95 .009   .009   .010   .008  -.001   .004   .001
AlT10z00  .0027 .1648 .6114     .008   .009   .009   .008  -.001   .004   .001
AlT1m000 -.0004 .8154 .1189 .87 .009   .010   .009   .007   .002   .004   .001
SiT1m000 -.0004 .8154 .1189 .13 .009   .010   .009   .007   .002   .004   .001
SiT1mz00  .0054 .8175 .6124     .009   .010   .011   .007   .003   .004   .001
AlT20000  .6877 .1119 .1574 .81 .010   .008   .008   .012      0   .004   .001
SiT20000  .6877 .1119 .1574 .19 .010   .008   .008   .012      0   .004   .001
AlT20z00  .6776 .1058 .6590 .02 .011   .009   .008   .014      0   .004      0
SiT20z00  .6776 .1058 .6590 .98 .011   .009   .008   .014      0   .004      0
AlT2m000  .6770 .8817 .1820 .05 .010   .009   .008   .013   .002   .004   .003
SiT2m000  .6770 .8817 .1820 .95 .010   .009   .008   .013   .002   .004   .003
AlT2mz00  .6832 .8752 .6759 .91 .009   .009   .009   .011   .001   .005   .003
SiT2mz00  .6832 .8752 .6759 .09 .009   .009   .009   .011   .001   .005   .003
OA1000    .0098 .1259 .9916     .018   .028   .018   .010      0   .011   .002
OA1z00   -.0078 .1259 .4876     .018   .030   .017   .013   .004   .014   .003
OA2000    .5771 .9904 .1401     .013   .011   .011   .015   .003   .005   .004
OA2z00    .5730 .9915 .6373     .012   .010   .010   .016      0   .004   .002
OB0000    .8191 .1010 .0897     .019   .015   .015   .029  -.005   .014  -.004
OB0z00    .8019 .1015 .5960     .019   .017   .015   .032  -.003   .016  -.002
OBm000    .8107 .8550 .1294     .029   .020   .021   .054   .002   .024  -.005
OBmz00    .8193 .8554 .6122     .024   .019   .022   .038   .005   .020   .002
OC0000    .0126 .2800 .1357     .016   .016   .012   .020  -.002   .009  -.001
OC0z00    .0142 .2948 .6479     .016   .016   .013   .018  -.003   .007  -.000
OCm000    .0087 .6807 .1083     .015   .013   .013   .015   .004   .004   .001
OCmz00    .0084 .6919 .6001     .016   .018   .013   .015   .004   .004  -.000
OD0000    .1894 .1063 .1881     .018   .015   .017   .014   .003  -.000   .002
OD0z00    .2041 .1040 .6903     .020   .018   .014   .016   .002  -.002   .002
ODm000    .2000 .8690 .2177     .024   .016   .020   .021   .002  -.005  -.006
ODmz00    .1833 .8620 .7128     .029   .023   .023   .022   .004  -.008  -.007
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Grandaite
 
Camara F, Ciriotti M E, Bittarello E, Nestola F, Massimi F,
Radica F, Costa E, Benna P, Piccoli G C
 
Mineralogical Magazine 78 (2014) 757-774
Arsenic-bearing new mineral species from Valletta mine, Maira Valley, Piedmont,
Italy: I. Grandaite, Sr2Al(AsO4)2(OH), description and crystal structure
Locality: Valletta mine, Maira Valley, Piedmont, Italy
_database_code_amcsd 0020474
7.5764 5.9507 8.8050 90 112.551 90 P2_1/m
atom       x     y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SrA1  .25931   .25 .73723 .548 .01875  .0179  .0206  .0226      0 .01310      0
CaA2  .25931   .25 .73723 .452 .01875  .0179  .0206  .0226      0 .01310      0
SrA2  .67546   .25 .58860 .921 .01325 .01466 .01477 .01246      0 .00758      0
BaA2  .67546   .25 .58860 .079 .01325 .01466 .01477 .01246      0 .00758      0
AlM        0     0      0  .68  .0106  .0139  .0087  .0090 -.0004  .0039  .0000
MgM        0     0      0  .13  .0106  .0139  .0087  .0090 -.0004  .0039  .0000
Fe3+M      0     0      0  .14  .0106  .0139  .0087  .0090 -.0004  .0039  .0000
Mn3+M      0     0      0  .12  .0106  .0139  .0087  .0090 -.0004  .0039  .0000
AsT1  .43733   .25 .17111 .886 .01236 .01242 .01138 .01137      0 .00242      0
VT1   .43733   .25 .17111 .114 .01236 .01242 .01138 .01137      0 .00242      0
AsT2  .03113   .25 .33393 .884 .01032 .01242 .01054 .00925      0 .00556      0
VT2   .03113   .25 .33393 .116 .01032 .01242 .01054 .00925      0 .00556      0
O1     .0231 .5144  .7853       .0203  .0330  .0132  .0156  .0025  .0105  .0020
O2     .2635   .25  .4501       .0265  .0152  .0399  .0217      0  .0041      0
O3     .9109   .25  .4550       .0320  .0334  .0410  .0345      0  .0273      0
O4     .5055 .0223  .2905       .0197  .0226  .0153  .0177  .0017  .0039  .0026
O5     .5209   .25  .0207       .0391  .0413   .059  .0276      0  .0249      0
O6     .1923   .25  .0638       .0210  .0149  .0216  .0207      0  .0005      0
O7     .8303   .25  .9207       .0137  .0121  .0150  .0124      0  .0029      0
H7     .7043   .25  .9230       .0200
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Total number of retrieved datasets: 41
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