Astrophyllite
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: MSH34a
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005819
5.3996 11.9152 11.7077 113.0413 94.5707 103.1239 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) .84970 .20633 .48079 .997 .0120  .0105  .0110  .0156  .0038  .0032  .0062
Fe(2) .28090 .06816 .48966 .970 .0121  .0106  .0115  .0160  .0042  .0040  .0068
Fe(3) .42292 .35267 .48662 .962 .0122  .0110  .0113  .0164  .0046  .0042  .0068
Fe(4)      0     .5     .5 .461 .0111  .0099  .0095  .0141  .0035  .0020  .0047
Mg(4)      0     .5     .5 .039 .0111  .0099  .0095  .0141  .0035  .0020  .0047
Ti    .07884 .08690 .19810 .621 .0105  .0080  .0103  .0145  .0036  .0027  .0059
Zr    .07884 .08690 .19810 .379 .0105  .0080  .0103  .0145  .0036  .0027  .0059
Si(1)  .6780 .27320 .23265      .0117  .0131  .0093  .0116  .0030  .0018  .0036
Si(2)  .8147 .54699 .25422      .0119  .0125  .0101  .0137  .0036  .0023  .0053
Si(3)  .3791 .67501 .25657      .0119  .0124  .0106  .0142  .0038  .0026  .0064
Si(4)  .5064 .93177 .23693      .0114  .0132  .0104  .0113  .0037  .0024  .0052
K      .1355  .2694  .9956  .89 .0565  .0849  .0480  .0292  .0129  .0056  .0127
Na     .1355  .2694  .9956  .11 .0565  .0849  .0480  .0292  .0129  .0056  .0127
Na        .5      0      0 .374 .0180  .0265  .0153  .0102  .0043  .0013  .0046
Ca        .5      0      0 .126 .0180  .0265  .0153  .0102  .0043  .0013  .0046
O(1)   .7255  .3183  .3847      .0125  .0143  .0114  .0114  .0040  .0024  .0042
O(2)   .1469  .1626  .3745      .0156  .0140  .0137  .0185  .0030  .0017  .0068
O(3)   .1268  .3913  .5927      .0126  .0140  .0115  .0127  .0042  .0022  .0052
OH(4)  .2986  .4623  .4016      .0150  .0167  .0140  .0134  .0047  .0022  .0048
OH(5)  .9891  .1160  .5910      .0159  .0165  .0152  .0166  .0051  .0031  .0070
O(6)   .5588  .2570  .5893      .0134  .0133  .0133  .0142  .0039  .0029  .0061
O(7)   .5729  .0154  .3895      .0126  .0154  .0119  .0114  .0050  .0021  .0053
O(8)   .0746  .5902  .2014      .0255  .0201  .0328  .0170 -.0008  .0047  .0080
O(9)   .2485  .0411  .8267      .0436  .0352  .0451  .0183 -.0212  .0129 -.0029
O(10)  .4258  .4130  .7985      .0267  .0298  .0340  .0202  .0201  .0034  .0094
O(11)  .1293  .8059  .8305      .0444  .0762  .0623  .0211  .0616  .0201  .0195
O(12)  .2656  .9573  .1719      .0430  .0612  .0419  .0188  .0408 -.0125 -.0048
O(13)  .2676  .6066  .8049      .0313  .0613  .0121  .0177  .0048  .0028  .0073
O(14)  .5735  .2199  .8007      .0327  .0654  .0120  .0179  .0048  .0047  .0074
O(15)  .3850  .1927  .1688      .0424  .0286  .0593  .0201 -.0231 -.0060  .0187
F(16)      0      0      0  .50 .0183  .0194  .0179  .0165  .0055  .0021  .0063
H(1)     .23   .413   .311      .0705
H(2)    1.03   .151  .6835      .0719