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: MSH3 Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0005811 5.3887 11.913 11.751 112.961 94.746 103.117 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) .8503 .2060 .4786 .741 .0097 .0062 .0100 .0127 .0017 .0027 .0047 Na(1) .8503 .2060 .4786 .259 .0097 .0062 .0100 .0127 .0017 .0027 .0047 Mn(2) .2791 .06673 .48762 1.011 .0118 .0087 .0106 .0163 .0023 .0043 .0059 Mn(3) .4229 .35239 .48466 .996 .0107 .0081 .0115 .0145 .0029 .0046 .0069 Zn(4) 0 .5 .5 .383 .0107 .0077 .0106 .0129 .0016 .0027 .0043 Mg(4) 0 .5 .5 .117 .0107 .0077 .0106 .0129 .0016 .0027 .0043 Ti .0775 .08393 .19176 .624 .0104 .0047 .0099 .0181 .0019 .0037 .0073 Nb .0775 .08393 .19176 .376 .0104 .0047 .0099 .0181 .0019 .0037 .0073 Si(1) .6796 .2732 .2315 .0100 .0097 .0082 .0116 .0015 .0021 .0042 Si(2) .8142 .5465 .2537 .0102 .0088 .0080 .0147 .0017 .0030 .0057 Si(3) .3799 .6752 .2564 .0109 .0101 .0088 .0137 .0014 .0022 .0053 Si(4) .5077 .9308 .2356 .0103 .0087 .0123 .0106 .0017 .0036 .0058 K1 .1351 .2684 .9958 .833 .0454 K2 .110 .216 .998 .167 .0454 Na .5 0 0 .482 .0229 .0364 .0197 .0086 .0044 .0008 .0047 O(1) .7283 .3209 .3834 .0135 .0114 .0135 .0156 .0055 .0038 .0049 O(2) .1480 .1591 .3672 .0123 .0098 .0100 .0153 .0029 .0021 .0035 O(3) .1302 .3947 .5951 .0103 .0069 .0114 .0134 .0022 .0046 .0059 OH(4) .2935 .4625 .3988 .0150 .0152 .0106 .0230 .0049 .0051 .0099 OH(5) .9922 .1184 .5961 .0148 .0106 .0142 .0167 .0019 .0020 .0047 O(6) .5564 .2581 .5916 .0121 .0134 .0061 .0174 .0017 .0036 .0060 O(7) .5727 .0128 .3867 .0118 .0124 .0116 .0125 .0060 .0061 .0040 O(8) .0744 .5913 .2021 .0165 .0113 .0218 .0158 -.0008 .0030 .0101 O(9) .2444 .0417 .8270 .0312 .0227 .0304 .0183 -.0183 .0132 -.0003 O(10) .4293 .4150 .8002 .0173 .0180 .0218 .0153 .0110 .0057 .0078 O(11) .1264 .8074 .8299 .0315 .0489 .0460 .0191 .0418 .0151 .0163 O(12) .2627 .9565 .1715 .0339 .0467 .0286 .0195 .0310 -.0107 -.0047 O(13) .2643 .6070 .8085 .0247 .0395 .0132 .0152 .0034 .0042 .0021 O(14) .5724 .2225 .8029 .0232 .0405 .0130 .0166 .0044 .0067 .0082 O(15) .3834 .1933 .1691 .0337 .0195 .0478 .0193 -.0233 -.0068 .0193 F(16) 0 0 0 .50 .0197 .0134 .0281 .0223 .0082 .0070 .0137