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Sn12In19(Se,S)41 |
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Topa D, Makovicky E |
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The Canadian Mineralogist 50 (2012) 397-422 |
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Structures and classification of indium sulfosalts, and the crystal structure |
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of Sn12In19(Se,S)41 |
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Locality: synthetic |
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_database_code_amcsd 0019198 |
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56.29 3.924 15.916 90 102.56 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sn1 .39970 0 .06055 .028 .0391 .0156 .0318 .0123 0 0 |
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Sn2 .28617 0 .04566 .038 .0509 .0271 .0359 .0100 0 0 |
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Sn3 .17724 .5 .3903 .087 .155 .040 .059 .004 0 0 |
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Sn4 .06653 -.5 .3852 .079 .154 .044 .044 .032 0 0 |
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Sn5 .11155 .5 .2326 .091 .124 .067 .098 .062 0 0 |
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Sn6a .16638 -.5 .1322 .54 .055 |
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Sn6b .16128 -.5 .0875 .46 .055 |
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In1 .23094 0 .18203 .024 .0297 .0198 .0214 .0060 0 0 |
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In2 0 .5 .5 .022 .033 .0164 .0163 .0061 0 0 |
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In3 .41479 0 .34497 .023 .0265 .0194 .0239 .0078 0 0 |
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In4 .37226 .5 .47125 .020 .0162 .0192 .0265 .0065 0 0 |
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In5 .35905 .5 .20390 .022 .0159 .0203 .0321 .0083 0 0 |
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In6 .31657 0 .32933 .020 .0197 .0148 .0256 .0063 0 0 |
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In7 .24952 .5 .39722 .020 .0265 .0150 .0200 .0077 0 0 |
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In8 .03980 0 .14152 .020 .0227 .0154 .0191 .0017 0 0 |
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In9 .48275 .5 .29200 .033 .0546 .0218 .0173 .0067 0 0 |
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In10 .47629 0 .07812 .021 .0261 .0187 .0186 .0068 0 0 |
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Se1 .21086 .5 .2542 .43 .024 .031 .021 .022 .008 0 0 |
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S1 .21086 .5 .2542 .57 .024 .031 .021 .022 .008 0 0 |
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Se2 .31380 .5 .2131 .62 .018 .017 .016 .024 .007 0 0 |
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S2 .31380 .5 .2131 .38 .018 .017 .016 .024 .007 0 0 |
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Se3 .15478 0 .2687 .89 .025 .027 .024 .024 .004 0 0 |
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S3 .15478 0 .2687 .11 .025 .027 .024 .024 .004 0 0 |
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Se4 .46264 0 .3597 .35 .022 .021 .025 .020 .005 0 0 |
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S4 .46264 0 .3597 .65 .022 .021 .025 .020 .005 0 0 |
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Se5 .32528 .5 .4499 .58 .022 .024 .020 .024 .006 0 0 |
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S5 .32528 .5 .4499 .42 .022 .024 .020 .024 .006 0 0 |
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Se6 .41854 .5 .4647 .55 .022 .022 .019 .026 .007 0 0 |
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S6 .41854 .5 .4647 .45 .022 .022 .019 .026 .007 0 0 |
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Se7 .19323 0 .0474 .47 .027 .033 .020 .030 .009 0 0 |
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S7 .19323 0 .0474 .53 .027 .033 .020 .030 .009 0 0 |
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Se8 .02004 0 .4191 .62 .019 .020 .015 .023 .009 0 0 |
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S8 .02004 0 .4191 .38 .019 .020 .015 .023 .009 0 0 |
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Se9 .11626 0 .0555 .87 .024 .026 .025 .022 .009 0 0 |
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S9 .11626 0 .0555 .13 .024 .026 .025 .022 .009 0 0 |
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Se10 .40613 .5 .2303 .51 .020 .023 .016 .022 .005 0 0 |
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S10 .40613 .5 .2303 .49 .020 .023 .016 .022 .005 0 0 |
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Se11 .05870 .5 .0644 .60 .023 .027 .021 .021 .005 0 0 |
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S11 .05870 .5 .0644 .40 .023 .027 .021 .021 .005 0 0 |
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Se12 .26891 0 .3195 .47 .017 .017 .017 .020 .009 0 0 |
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S12 .26891 0 .3195 .53 .017 .017 .017 .020 .009 0 0 |
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Se13 .35475 0 .0923 .51 .024 .023 .021 .030 .007 0 0 |
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S13 .35475 0 .0923 .49 .024 .023 .021 .030 .007 0 0 |
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Se14 .12158 .5 .4148 .50 .026 .041 .017 .020 .005 0 0 |
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S14 .12158 .5 .4148 .50 .026 .041 .017 .020 .005 0 0 |
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Se15 .07696 0 .2718 .48 .025 .027 .023 .023 .000 0 0 |
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S15 .07696 0 .2718 .52 .025 .027 .023 .023 .000 0 0 |
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Se16 .22265 0 .4500 .41 .019 .021 .021 .016 .007 0 0 |
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S16 .22265 0 .4500 .59 .019 .021 .021 .016 .007 0 0 |
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Se17 .45515 .5 .1418 .51 .023 .029 .022 .018 .007 0 0 |
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S17 .45515 .5 .1418 .49 .023 .029 .022 .018 .007 0 0 |
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Se18 .36631 0 .3413 .07 .014 .006 .018 .018 .006 0 0 |
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S18 .36631 0 .3413 .93 .014 .006 .018 .018 .006 0 0 |
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Se19 .5 .5 0 .22 .039 .031 .043 .046 .012 0 0 |
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S19 .5 .5 0 .78 .039 .031 .043 .046 .012 0 0 |
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Se20 .51474 0 .2143 .58 .029 .036 .028 .026 .013 0 0 |
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S20 .51474 0 .2143 .42 .029 .036 .028 .026 .013 0 0 |
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Se21 .25092 .5 .0979 .57 .020 .019 .018 .021 .003 0 0 |
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S21 .25092 .5 .0979 .43 .020 .019 .018 .021 .003 0 0 |
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