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: MSH33a
Locality: aplite/pegmatite at Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005818
5.418 11.933 11.742 112.962 94.620 103.123 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) .8500 .20625 .48069 1.001 .0121  .0081  .0127  .0168  .0035  .0034  .0070
Fe(2) .2807 .06813 .48939  .960 .0124  .0092  .0127  .0168  .0035  .0045  .0069
Fe(3) .4231 .35255 .48621  .954 .0127  .0101  .0123  .0179  .0045  .0051  .0073
Fe(4)     0     .5     .5  .438 .0104  .0077  .0088  .0142  .0019  .0017  .0045
Mg(4)     0     .5     .5  .062 .0104  .0077  .0088  .0142  .0019  .0017  .0045
Ti    .0787 .08663 .19725  .462 .0110  .0064  .0113  .0168  .0029  .0033  .0069
Zr    .0787 .08663 .19725  .538 .0110  .0064  .0113  .0168  .0029  .0033  .0069
Si(1) .6784  .2739  .2325       .0111  .0119  .0072  .0130  .0012  .0031  .0040
Si(2) .8140  .5474  .2543       .0127  .0118  .0119  .0153  .0034  .0020  .0068
Si(3) .3778  .6744  .2564       .0130  .0115  .0130  .0164  .0043  .0033  .0074
Si(4) .5059  .9305  .2363       .0117  .0109  .0107  .0129  .0017  .0026  .0051
K     .1360  .2704  .9956   .87 .0585  .0867  .0512  .0301  .0130  .0069  .0137
Na    .1360  .2704  .9956   .13 .0417  .0517  .0434  .0247  .0102  .0047  .0113
Na       .5      0      0   .36 .0166  .0241  .0128  .0112  .0037  .0031  .0041
Ca       .5      0      0   .14 .0166  .0241  .0128  .0112  .0037  .0031  .0041
O(1)  .7260  .3186  .3842       .0130  .0104  .0149  .0121  .0039  .0026  .0038
O(2)  .1467  .1626  .3756       .0151  .0065  .0185  .0199  .0044  .0025  .0072
O(3)  .1275  .3918  .5926       .0135  .0083  .0145  .0144  .0018  .0037  .0033
OH(4) .2995  .4637  .4027       .0160  .0147  .0104  .0152  .0013  .0016 -.0011
OH(5) .9921  .1170  .5934       .0160  .0173  .0178  .0178  .0072  .0018  .0115
O(6)  .5611  .2578  .5888       .0133  .0109  .0115  .0156  .0028  .0035  .0037
O(7)  .5721  .0136  .3879       .0129  .0112  .0118  .0154  .0043  .0022  .0048
O(8)  .0718  .5908  .2021       .0269  .0195  .0305  .0203 -.0036  .0049  .0055
O(9)  .2513  .0419  .8271       .0447  .0288  .0503  .0199 -.0216  .0153 -.0053
O(10) .4292  .4142  .7977       .0274  .0310  .0339  .0177  .0179  .0025  .0067
O(11) .1318  .8058  .8311       .0461  .0776  .0680  .0235  .0644  .0242  .0238
O(12) .2672  .9570  .1727       .0463  .0584  .0450  .0227  .0387 -.0173 -.0073
O(13) .2656  .6056  .8045       .0314  .0575  .0140  .0203  .0013  .0072  .0095
O(14) .5728  .2208  .8008       .0347  .0581  .0213  .0229  .0061  .0070  .0104
O(15) .3863  .1933  .1680       .0431  .0329  .0503  .0244 -.0264 -.0062  .0166
F(16)     0      0      0   .50 .0190  .0172  .0219  .0193  .0076  .0030  .0089
H(1)    .20   .407   .318       .0150
H(2)   .868   .139   .546       .0150