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: MSH20 Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0005817 5.3879 11.9263 11.7136 113.049 94.832 103.077 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) .84993 .20629 .47899 .873 .0102 .0087 .0099 .0129 .0026 .0029 .0056 Na(1) .84993 .20629 .47899 .127 .0102 .0087 .0099 .0129 .0026 .0029 .0056 Mn(2) .27976 .06671 .48719 .999 .0109 .0090 .0111 .0143 .0033 .0041 .0065 Mn(3) .42275 .35210 .48419 .992 .0110 .0095 .0109 .0150 .0039 .0045 .0071 Zn(4) 0 .5 .5 .348 .0106 .0088 .0100 .0129 .0023 .0020 .0050 Mg(4) 0 .5 .5 .152 .0106 .0088 .0100 .0129 .0023 .0020 .0050 Ti .07958 .08624 .19722 .0074 .0057 .0086 .0086 .0021 .0018 .0041 Si(1) .6786 .27147 .23011 .0089 .0087 .0089 .0092 .0024 .0017 .0040 Si(2) .8117 .54570 .25240 .0100 .0100 .0086 .0116 .0021 .0019 .0049 Si(3) .3771 .67495 .25508 .0100 .0104 .0093 .0117 .0026 .0024 .0057 Si(4) .5076 .93128 .23425 .0086 .0090 .0085 .0091 .0026 .0020 .0044 K .1338 .2648 .9957 .91 .0417 .0517 .0434 .0247 .0102 .0047 .0113 Na .1338 .2648 .9957 .09 .0417 .0517 .0434 .0247 .0102 .0047 .0113 Na .5 0 0 .295 .0129 .0176 .0119 .0084 .0034 .0017 .0042 Ca .5 0 0 .205 .0129 .0176 .0119 .0084 .0034 .0017 .0042 O(1) .7289 .3189 .3822 .0117 .0115 .0129 .0094 .0034 .0011 .0038 O(2) .1468 .1592 .3669 .0124 .0121 .0130 .0110 .0029 .0021 .0044 O(3) .1294 .3937 .5953 .0118 .0108 .0114 .0132 .0026 .0030 .0054 OH(4) .2943 .4629 .3984 .0137 .0136 .0134 .0135 .0033 .0019 .0054 OH(5) .9913 .1188 .5947 .0144 .0141 .0142 .0145 .0044 .0025 .0056 O(6) .5583 .2580 .5920 .0110 .0113 .0101 .0109 .0023 .0019 .0041 O(7) .5752 .0138 .3867 .0108 .0103 .0116 .0098 .0034 .0031 .0036 O(8) .0710 .5921 .1999 .0191 .0127 .0237 .0173 -.0019 .0039 .0086 O(9) .2469 .0413 .8300 .0233 .0174 .0263 .0154 -.0066 .0080 .0038 O(10) .4326 .4159 .8004 .0188 .0213 .0216 .0148 .0128 .0027 .0056 O(11) .1276 .8089 .8326 .0231 .0330 .0310 .0162 .0252 .0096 .0111 O(12) .2624 .9564 .1700 .0224 .0273 .0236 .0147 .0179 -.0029 .0020 O(13) .2659 .6078 .8080 .0193 .0320 .0104 .0147 .0033 .0036 .0062 O(14) .5704 .2214 .8034 .0207 .0335 .0114 .0175 .0033 .0047 .0080 O(15) .3825 .1906 .1667 .0233 .0136 .0329 .0149 -.0091 -.0007 .0107 F(16) 0 0 0 .50 .0143 .0167 .0166 .0082 .0033 .0005 .0048 H(1) .25 .422 .306 .0826 H(2) 1.059 .154 .686 .0252