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Vasilyevite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 41 (2003) 1173-1181 |
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The crystal structure of vasilyevite, (Hg2)10O6I3(Br,Cl)3(CO3) |
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9.344 10.653 18.265 93.262 90.548 115.422 P-1 |
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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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Hg(1) .4508 .3267 .4759 .027 .027 .022 .024 .005 -.004 -.008 |
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Hg(2) .2648 .1059 .4020 .028 .027 .022 .024 .001 -.004 -.007 |
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Hg(3) .5351 .2824 .7804 .025 .029 .020 .022 .007 .004 -.000 |
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Hg(4) .5985 .4122 .6605 .028 .033 .033 .015 .012 .002 -.003 |
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Hg(5) .8273 -.1104 .9045 .023 .025 .021 .018 .005 -.001 -.002 |
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Hg(6) .1287 .0098 .2213 .026 .026 .034 .015 .009 .002 .006 |
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Hg(7) .9750 .2052 .9605 .025 .019 .026 .030 .011 .000 -.002 |
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Hg(8) .7029 .1959 .9281 .026 .016 .028 .033 .010 .001 .002 |
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Hg(9) .2223 .0437 .9077 .026 .026 .023 .026 .009 .000 -.008 |
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Hg(10) .2081 -.1672 .8309 .030 .029 .028 .030 .010 .003 -.011 |
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Hg(11) .8386 .2521 .6604 .026 .020 .018 .037 .004 .001 -.004 |
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Hg(12) .0431 .4739 .7262 .035 .024 .028 .044 .004 -.008 -.007 |
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Hg(13) .6969 .1718 .4778 .031 .035 .031 .025 .013 -.000 .001 |
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Hg(14) .6993 .2321 .3448 .030 .034 .031 .023 .011 .000 -.000 |
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Hg(15) .5510 .3552 .2057 .032 .023 .035 .040 .013 -.003 .002 |
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Hg(16) .6970 .6043 .8167 .041 .032 .029 .060 .014 -.015 -.013 |
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Hg(17) -.1367 -.0950 .3689 .029 .016 .035 .034 .009 .001 -.003 |
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Hg(18) .4120 .1058 .6110 .032 .024 .032 .039 .011 .003 -.003 |
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Hg(19) .4805 .3880 .9638 .028 .034 .022 .027 .011 .003 -.006 |
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Hg(20) .8710 .5119 .5151 .028 .018 .034 .032 .011 .005 -.002 |
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CO3 .549 .997 .745 .85 .004 |
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S .549 .997 .745 .15 .004 |
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O(1) .916 .062 .670 .009 |
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O(2) -.194 -.193 .015 .009 |
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O(3) .506 .236 .892 .009 |
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O(4) .620 .096 .590 .009 |
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O(5) .618 .450 .550 .009 |
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O(6) .752 .311 .241 .009 |
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O(7) .326 -.107 .219 .85 .004 |
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O(8) .427 .009 .742 .85 .004 |
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O(9) .430 .102 .272 .85 .004 |
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I(1) .078 .2800 .3117 .034 |
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I(2) .085 .4491 .1046 .034 |
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I(3) .195 .3017 .8173 .040 |
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BrX(1) .483 .838 .9311 .73 .025 |
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ClX(1) .483 .838 .9311 .27 .025 |
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BrX(2) .315 .469 .6301 .69 .035 |
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ClX(2) .315 .469 .6301 .31 .035 |
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BrX(3) .003 .175 .505 .22 .026 |
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ClX(3) .003 .175 .505 .78 .026 |
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