Niobokupletskite 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: MSH42 Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0005821 5.4303 11.924 11.747 112.927 94.750 103.175 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) .8511 .2057 .4794 .91 .0106 .0026 .0138 .0163 .0031 .0027 .0067 Na .8511 .2057 .4794 .09 .0106 .0026 .0138 .0163 .0031 .0027 .0067 Mn(2) .2790 .0680 .4871 .90 .0115 .0038 .0164 .0174 .0039 .0044 .0091 Zn(2) .2790 .0680 .4871 .10 .0115 .0038 .0164 .0174 .0039 .0044 .0091 Mn(3) .4211 .3512 .4844 .85 .0119 .0043 .0154 .0185 .0035 .0043 .0088 Zn(3) .4211 .3512 .4844 .15 .0119 .0043 .0154 .0185 .0035 .0043 .0088 Mn(4) 0 .5 .5 .33 .0110 .0013 .0131 .0166 -.0004 .0020 .0055 Zn(4) 0 .5 .5 .17 .0110 .0013 .0131 .0166 -.0004 .0020 .0055 Nb .0749 .0818 .1865 .90 .0100 .0004 .0133 .0178 .0026 .0037 .0077 Ti .0749 .0818 .1865 .10 .0100 .0004 .0133 .0178 .0026 .0037 .0077 Si(1) .6786 .2745 .2314 .0120 .0068 .0186 .0154 .0060 .0045 .0103 Si(2) .8133 .5470 .2526 .0122 .0095 .0136 .0146 .0024 .0023 .0076 Si(3) .3765 .6737 .2552 .0133 .0089 .0167 .0149 .0018 .0009 .0084 Si(4) .5070 .9296 .2362 .0103 .0049 .0108 .0139 .0018 .0021 .0047 K(1a) .097 .278 .995 .41 .0433 K(1b) .164 .2754 .9956 .48 .0433 Rb(1b) .164 .2754 .9956 .065 .0433 Na .5 0 0 .45 .0179 .0148 .0200 .0147 .0033 -.0011 .0046 O(1) .728 .3194 .3832 .0126 .0028 .0226 .0165 .0073 .0033 .0102 O(2) .146 .1600 .3682 .0158 .0134 .0167 .0176 .0045 .0021 .0074 O(3) .130 .3931 .5949 .0088 OH(4) .295 .4631 .3991 .0134 .0102 .0210 .0146 .0114 .0074 .0084 OH(5) .993 .1179 .5944 .0139 .0104 .0133 .0142 .0013 .0067 .0023 O(6) .559 .2576 .5915 .0096 .0024 .0161 .0107 .0019 .0024 .0060 O(7) .573 .0134 .3865 .0102 .0037 .0074 .0184 -.0011 0 .0061 O(8) .072 .5915 .2004 .0235 .0184 .0284 .0222 .0036 .0131 .0091 O(9) .250 .043 .8260 .0486 .0268 .0597 .0210 -.0337 .0051 .0030 O(10) .433 .4144 .7988 .0254 .0215 .0359 .0186 .0116 .0022 .0098 O(11) .129 .803 .8297 .0434 .0683 .0595 .0238 .0534 .0022 .0182 O(12) .267 .954 .1723 .0498 .0709 .0516 .0185 .0526 -.0189 -.0078 O(13) .266 .6062 .8075 .0266 .0508 .0106 .0140 .0077 .0035 .0018 O(14) .571 .2206 .8024 .0311 .0568 .0088 .0206 -.0014 .0029 .0058 O(15) .385 .197 .1693 .0431 .0308 .0559 .0240 -.0247 -.0056 .0202 O(16) 0 0 0 .50 .0172 .0076 .0277 .0213 .0096 .0065 .0121