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Perkovaite |
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Krivovichev S V, Shcherbakova E P, Nishanbaev T P |
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The Canadian Mineralogist 48 (2010) 1469-1475 |
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The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps |
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of the Chelyabinsk coal basin, Russia |
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Locality: coal dumps of the Chelyabinsk coal basin, Russia |
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_database_code_amcsd 0018301 |
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16.581 16.581 7.348 90 90 120 P6_3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .33636 .31945 .2259 .0128 .0144 .0182 .0069 .0090 .0017 -.0063 |
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S2 .16348 .18021 -.2825 .0152 .0145 .0122 .0184 .0063 -.0027 .0066 |
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S3 .31904 .48329 .7124 .0131 .0146 .0147 .0127 .0095 -.0080 -.0100 |
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S4 .51650 .33590 .7109 .0140 .0128 .0160 .0155 .0088 .0093 .0022 |
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Mg1 .17363 .33548 .0207 .0070 .0062 .0091 .0072 .0049 -.0031 .0001 |
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Mg2 .1570 .3305 .4291 .0226 .0221 .0337 .0111 .0132 .0067 -.0005 |
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Mg3 1/3 2/3 .5170 .0143 .0115 .0115 .020 .0058 .000 .000 |
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Mg4 1/3 2/3 .9227 .0354 .039 .039 .028 .0195 .000 .000 |
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Ca1 .52088 .51238 .4641 .0214 .0094 .0313 .0077 -.0016 .0059 .0013 |
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Ca2 -.0244 -.0153 -.0308 .0220 .029 .012 .030 .014 -.007 -.007 |
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O1 .4379 .2413 .7182 .0171 .011 .031 .009 .011 .001 .001 |
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O2 .3020 .5635 .7195 .0182 .026 .021 .016 .019 .001 .002 |
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O3 .2599 .1971 -.2867 .0182 .014 .011 .023 .001 -.001 -.002 |
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O4 .2403 .3030 .2299 .0170 .018 .025 .010 .012 -.003 -.003 |
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O5 .3481 .2656 .3678 .0206 .025 .028 .014 .017 .009 .013 |
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O6 .2664 .4192 .5696 .0257 .014 .024 .034 .005 -.008 -.024 |
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O7 .2966 .4375 .8933 .0147 .026 .019 .002 .013 .000 -.003 |
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O8 .3996 .4179 .2550 .0172 .018 .015 .013 .005 .001 -.003 |
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O9 .4202 .5197 .6848 .0181 .013 .015 .026 .007 -.004 -.006 |
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O10 .5705 .3517 .8742 .035 .044 .028 .023 .009 .001 .013 |
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O11 .1533 .2210 -.1195 .037 .034 .073 .016 .037 -.019 -.024 |
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O12 .4801 .3987 .7103 .037 .022 .021 .067 .009 .006 -.001 |
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O13 .1009 .0819 -.2806 .035 .019 .018 .054 -.001 -.002 .010 |
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O14 .3567 .2953 .0427 .0242 .033 .029 .022 .023 .012 -.004 |
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O15 .1421 .2185 -.4384 .035 .030 .050 .031 .024 -.002 .018 |
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O16 .5706 .3516 .5455 .041 .038 .037 .037 .009 .018 .003 |
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View JMOL 3-D Structure (permalink) |
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