Kupletskite
Piilonen P C, McDonald A M, Lalonde A E
The Canadian Mineralogist 41 (2003) 27-54
Insights into astrophyllite-group minerals II: Crystal chemistry
Sample: MSH8
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005812
5.4203 11.9392 11.7229 113.0010 94.7348 103.1598 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)
Mn(1) .85061 .20591 .47956  .863 .0120  .0102  .0107  .0156  .0027  .0026  .0063
Na(1) .85061 .20591 .47956  .137 .0120  .0102  .0107  .0156  .0027  .0026  .0063
Mn(2) .27913 .06742 .48742  .985 .0132  .0114  .0124  .0176  .0037  .0045  .0077
Mn(3) .42190 .35173 .48472  .974 .0133  .0119  .0125  .0184  .0047  .0050  .0084
Mn(4)      0     .5     .5  .482 .0115  .0094  .0093  .0150  .0024  .0015  .0047
Ti    .07634 .08332 .19010  .553 .0133  .0086  .0131  .0196  .0037  .0032  .0081
Nb    .07634 .08332 .19010  .447 .0133  .0086  .0131  .0196  .0037  .0032  .0081
Si(1)  .6789 .27321 .23102       .0116  .0124  .0090  .0125  .0022  .0016  .0041
Si(2)  .8129 .54654 .25206       .0142  .0177  .0099  .0145  .0026  .0019  .0057
Si(3)  .3775 .67402 .25469       .0143  .0175  .0115  .0147  .0032  .0026  .0071
Si(4)  .5066 .93042 .23529       .0116  .0134  .0107  .0112  .0029  .0021  .0057
K      .1376  .2716  .9956 1.003 .0582  .0744  .0565  .0368  .0139  .0069  .0158
Na        .5      0      0  .449 .0260  .0404  .0209  .0130  .0060  .0031  .0052
Ca        .5      0      0  .051 .0260  .0404  .0209  .0130  .0060  .0031  .0052
O(1)   .7277  .3191  .3833       .0141  .0140  .0148  .0120  .0027  .0017  .0050
O(2)   .1467  .1597  .3680       .0158  .0140  .0174  .0144  .0033  .0023  .0058
O(3)   .1300  .3930  .5952       .0142  .0146  .0117  .0149  .0026  .0005  .0055
OH(4)  .2956  .4624  .3992       .0173  .0161  .0175  .0180  .0053  .0039  .0068
OH(5)  .9932  .1177  .5937       .0179  .0170  .0194  .0188  .0063  .0037  .0089
O(6)   .5586  .2580  .5914       .0145  .0154  .0141  .0129  .0024  .0011  .0058
O(7)   .5727  .0131  .3874       .0139  .0152  .0137  .0124  .0040  .0018  .0052
O(8)   .0715  .5912  .1997       .0300  .0271  .0320  .0193 -.0074  .0027  .0080
O(9)   .2479  .0417  .8277       .0359  .0263  .0377  .0202 -.0169  .0096  .0016
O(10)  .4299  .4155  .8006       .0302  .0429  .0310  .0195  .0216  .0012  .0083
O(11)  .1274  .8063  .8316       .0362  .0578  .0508  .0195  .0453  .0153  .0167
O(12)  .2634  .9559  .1718       .0349  .0481  .0356  .0192  .0317 -.0077  .0015
O(13)  .2666  .6068  .8075       .0268  .0489  .0096  .0192  .0028  .0039  .0068
O(14)  .5716  .2216  .8034       .0285  .0504  .0133  .0213  .0040  .0039  .0100
O(15)  .3843  .1924  .1681       .0356  .0216  .0489  .0230 -.0168 -.0043  .0181
F(16)      0      0      0   .50 .0233  .0230  .0266  .0188  .0063  .0037  .0086