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