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: MSH15 Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0005814 5.4033 11.920 11.741 112.933 94.793 103.108 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) .8504 .20567 .4786 .87 .0118 .0104 .0103 .0165 .0034 .0040 .0071 Na(1) .8504 .20567 .4786 .13 .0118 .0104 .0103 .0165 .0034 .0040 .0071 Mn(2) .2790 .06700 .48714 1.014 .0135 .0121 .0132 .0182 .0047 .0055 .0084 Mn(3) .4220 .35166 .4839 .972 .0120 .0104 .0110 .0176 .0041 .0052 .0079 Mn(4) 0 .5 .5 .415 .0092 .0079 .0062 .0130 .0010 .0010 .0041 Mg(4) 0 .5 .5 .085 .0092 .0079 .0062 .0130 .0010 .0010 .0041 Ti .0773 .08376 .19167 .624 .0115 .0075 .0101 .0203 .0037 .0044 .0088 Nb .0773 .08376 .19167 .376 .0115 .0075 .0101 .0203 .0037 .0044 .0088 Si(1) .6794 .2729 .2312 .0098 .0112 .0081 .0121 .0033 .0039 .0057 Si(2) .8144 .5467 .2535 .0119 .0132 .0078 .0152 .0024 .0021 .0056 Si(3) .3792 .6750 .2563 .0119 .0138 .0098 .0155 .0040 .0039 .0083 Si(4) .5073 .9308 .2354 .0095 .0106 .0091 .0105 .0027 .0021 .0060 K .1337 .2667 .9957 .86 .0515 .0737 .0456 .0283 .0114 .0060 .0122 Na .1337 .2667 .9957 .14 .0515 .0737 .0456 .0283 .0114 .0060 .0122 Na .5 0 0 .44 .0267 .0434 .0220 .0146 .0082 .0026 .0088 Ca .5 0 0 .06 .0267 .0434 .0220 .0146 .0082 .0026 .0088 O(1) .7279 .3192 .3833 .0118 .0110 .0075 .0167 .0026 .0009 .0052 O(2) .1479 .1598 .3675 .0125 .0133 .0119 .0126 .0040 .0009 .0054 O(3) .1280 .3933 .5947 .0118 .0117 .0101 .0142 .0049 .0004 .0053 OH(4) .2958 .4637 .3999 .0135 .0156 .0118 .0139 .0060 .0035 .0050 OH(5) .9952 .1191 .5950 .0165 .0218 .0190 .0147 .0116 .0042 .0097 O(6) .5587 .2577 .5919 .0109 .0109 .0126 .0145 .0057 .0044 .0096 O(7) .5711 .0126 .3874 .0127 .0148 .0134 .0145 .0084 .0057 .0077 O(8) .0725 .5918 .2018 .0228 .0240 .0276 .0130 .0014 .0030 .0082 O(9) .2468 .0423 .8269 .0291 .0264 .0271 .0148 -.0160 .0124 .0006 O(10) .4281 .4139 .7999 .0212 .0223 .0247 .0181 .0133 .0029 .0070 O(11) .1276 .8071 .8312 .0312 .0523 .0387 .0216 .0394 .0184 .0154 O(12) .2615 .9554 .1723 .0364 .0488 .0393 .0224 .0377 -.0054 .0029 O(13) .2650 .6060 .8071 .0231 .0407 .0082 .0200 .0039 .0017 .0077 O(14) .5719 .2222 .8032 .0217 .0369 .0078 .0165 -.0024 .0029 .0065 O(15) .3834 .1930 .1693 .0326 .0206 .0461 .0235 -.0141 .0048 .0199 F(16) 0 0 0 .50 .0188 .0221 .0146 .0165 .0040 -.0001 .0048