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
Note: sample US5
Locality: granitic pegmatite at Mount Rosa, Pikes Peak, Colorado, USA
_database_code_amcsd 0005809
5.3627 11.851 11.668 113.040 94.523 103.093 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)
Fe(1) .8493  .2055 .4801 .891 .0103  .0095  .0089  .0130  .0018  .0029  .0053
Na(1) .8493  .2055 .4801 .109 .0103  .0095  .0089  .0130  .0018  .0029  .0053
Fe(2) .2801 .06747 .4893      .0118  .0104  .0111  .0152  .0023  .0040  .0069
Fe(3) .4226 .35234 .4862      .0105  .0086  .0096  .0146  .0029  .0043  .0057
Fe(4)     0     .5    .5  .50 .0094  .0067  .0075  .0126  .0017  .0029  .0027
Ti    .0786 .08633 .1981 .769 .0095  .0067  .0074  .0148  .0010  .0028  .0054
Nb    .0786 .08633 .1981 .231 .0095  .0067  .0074  .0148  .0010  .0028  .0054
Si(1) .6771  .2719 .2330      .0125  .0130  .0122  .0125  .0038  .0028  .0054
Si(2) .8154  .5468 .2546      .0118  .0110  .0093  .0137  .0025  .0029  .0034
Si(3) .3807  .6757 .2573      .0118  .0128  .0111  .0123  .0028  .0019  .0063
Si(4) .5081  .9337 .2371      .0113  .0119  .0102  .0122  .0022  .0020  .0059
K     .1315  .2640 .9962 .929 .0640  .0878  .0652  .0266  .0145  .0044  .0117
Rb    .1315  .2640 .9962 .071 .0640  .0878  .0652  .0266  .0145  .0044  .0117
Na       .5      0     0 .479 .0209  .0351  .0135  .0126  .0037  .0023  .0059
O(1)  .7254  .3180 .3857      .0107  .0120  .0074  .0138 -.0004  .0009  .0077
O(2)  .1471  .1615 .3730      .0119  .0114  .0090  .0155 -.0003  .0007  .0074
O(3)  .1265  .3910 .5928      .0108  .0084  .0102  .0158  .0034  .0035  .0067
OH(4) .2982  .4625 .4010      .0115  .0157  .0071  .0140  .0035  .0022  .0065
OH(5) .9901  .1162 .5911      .0137  .0143  .0141  .0127  .0053  .0023  .0049
O(6)  .5599  .2581 .5908      .0109  .0085  .0113  .0104  .0005 -.0009  .0038
O(7)  .5733  .0165 .3898      .0117  .0110  .0115  .0095  .0001 -.0013  .0035
O(8)  .0774  .5903 .2016      .0214  .0161  .0226  .0174 -.0005  .0025  .0035
O(9)  .2452  .0410 .8252      .0447  .0345  .0445  .0139 -.0272  .0126 -.0103
O(10) .4263  .4128 .7979      .0226  .0197  .0258  .0198  .0054 -.0021  .0086
O(11) .1250  .8066 .8287      .0482  .0771  .0711  .0232  .0670  .0226  .0196
O(12) .2634  .9584 .1735      .0446  .0686  .0402  .0163  .0371 -.0205 -.0036
O(13) .2687  .6064 .8039      .0279  .0556  .0081  .0163  .0011  .0029  .0062
O(14) .5736  .2201 .7995      .0323  .0595  .0108  .0269  .0001  .0049  .0143
O(15) .3823  .1921 .1705      .0462  .0277  .0694  .0177 -.0321 -.0060  .0209
F(16)     0      0     0  .50 .0180  .0187  .0191  .0158  .0045  .0006  .0079
H(1)    .27   .416  .309      .0406
H(1)    .03   .143  .683      .0343