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Kelyanite |
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Pervukhina N V, Borisov S V, Magarill S A, Naumov D Y, Vasilev V I |
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American Mineralogist 93 (2008) 1666-1669 |
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The crystal structure of kelyanite (Hg2)6(SbO6)BrCl2 |
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Locality: Kelyana deposit, Buryatia, Russia |
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_database_code_amcsd 0004681 |
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13.560 13.560 10.004 90 90 120 P3 |
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atom x y z Uiso |
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Hg1 .2082 -.1482 .2704 .023 |
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Hg2 .1502 -.0239 .3950 .024 |
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Hg3 .4591 -.0228 .3926 .022 |
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Hg4 .5156 .1587 .2674 .025 |
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Hg5 .3490 .2160 .0625 .040 |
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Hg6 .1912 .0731 -.0789 .033 |
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Hg7 .3752 .5262 .0651 .037 |
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Hg8 .5087 .4866 -.0629 .032 |
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Hg9 .3171 .2007 .6004 .040 |
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Hg10 .4761 .2153 .7418 .035 |
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Hg11 .2922 .4839 .5977 .039 |
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Hg12 .1586 .3120 .7268 .036 |
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Sb1 0 0 .6629 .034 |
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Sb2 2/3 1/3 .0015 .033 |
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Sb3 1/3 2/3 .3325 .034 |
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O1 .284 -.241 .203 .036 |
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O2 .130 .076 .539 .041 |
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O3 .391 -.188 .460 .043 |
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O4 .534 .269 .126 .050 |
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O5 .090 -.047 -.223 .036 |
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O6 .628 .422 -.120 .047 |
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Br1 2/3 1/3 .4678 .057 |
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Br2 0 0 .1594 .058 |
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Br3 1/3 2/3 .8165 .051 |
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Cl1 .335 .2257 .3299 .057 |
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Cl2 .472 -.0058 .6738 .057 |
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Grechishchevite |
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Pervukhina N V, Vasil'ev V I, Borisov S V, Magarill S A, Naumov D Y |
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The Canadian Mineralogist 41 (2003) 1445-1453 |
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The crystal structure of a polymorph of Hg3S2Br1Cl.5I.5 |
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Locality: synthetic |
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_database_code_amcsd 0005919 |
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13.249 13.259 8.710 90 90 90 Pbnm |
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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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Hg1 .3083 .4653 .2500 .045 .045 .046 .044 .001 0 0 |
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Hg2 .1124 .3473 -.0087 .021 .021 .021 .022 .001 .000 .000 |
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Hg3 -.0360 .1876 .2500 .049 .050 .048 .049 .000 0 0 |
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Hg4 .1513 .6119 -.0064 .027 .027 .027 .027 .000 .000 .000 |
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S1 -.0389 .2495 -.0160 .025 .027 .023 .024 .002 -.003 .003 |
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S2 .2491 .4612 -.0109 .039 .038 .041 .038 -.002 0 0 |
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Br1 .2108 .2129 .2500 .042 .041 .047 .037 .002 0 0 |
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Br2 .2280 .2232 -.2500 .035 .035 .035 .036 .002 0 0 |
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Cl1 -.0194 -.0205 .2500 .027 .025 .016 .040 -.005 0 0 |
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I1 -.0004 .5030 -.2500 .032 .033 .031 .031 .000 0 0 |
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Radtkeite |
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Pervukhina N V, Vasil'ev V I, Naumov D Y, Borisov S V, Magarill S A |
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The Canadian Mineralogist 42 (2004) 87-94 |
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The crystal structure of synthetic radtkeite, Hg3S2ClI |
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_database_code_amcsd 0005926 |
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16.827 9.117 13.165 90 130.17 90 C2/m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Hg1 0 .2270 -.5 .027 .024 .026 0 .017 0 |
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Hg2 .1510 .5 -.2535 .033 .031 .030 0 .020 0 |
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Hg3 -.25 .25 -.5 .028 .031 .029 -.001 .019 -.001 |
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Hg4 -.1405 .5 -.2342 .045 .040 .045 0 .031 0 |
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Hg5 .0248 .2160 -.2048 .045 .047 .046 .000 .029 .000 |
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S1 -.1475 .2331 -.2688 .021 .018 .030 .003 .016 .003 |
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S2 .1234 .2315 -.2782 .024 .032 .029 .004 .016 -.001 |
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I1 -.1245 .5 .0126 .033 .035 .033 0 .020 0 |
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I2 -.3936 0 -.5269 .040 .032 .041 0 .027 0 |
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Cl1 .1126 0 -.0101 .042 .026 .030 0 .028 0 |
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Cl2 .1299 0 -.5162 .037 .042 .040 0 .031 0 |
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Hg3S2Cl1.5Br.5 |
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Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y |
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The Canadian Mineralogist 44 (2006) 1239-1246 |
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Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 |
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(Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of |
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Hg3S2Cl2-xBrx (x ~ 0.5) |
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Sample: compound I |
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_database_code_amcsd 0006123 |
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16.841 9.128 9.435 90 90.08 90 C2/m |
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atom x y z occ Uiso |
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Hg1 .5 -.2412 .5 .028 |
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Hg2 .3749 -.2252 .7993 .023 |
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Hg3 .2225 -.5 .7699 .035 |
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Hg4 .25 -.25 .5 .029 |
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Hg5 .5265 -.5 .7774 .034 |
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S1 .5147 -.2361 .7564 .026 |
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S2 .2303 -.2403 .7487 .033 |
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Cl1 .1315 -.5 .0150 .032 |
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Cl2 .6255 -.5 .0161 .034 |
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Br1 .3734 0 .5175 .625 .042 |
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Cl3 .3734 0 .5175 .375 .042 |
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Br2 .3736 -.5 .5274 .623 .035 |
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Cl4 .3736 -.5 .5274 .377 .035 |
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Hg3S2Cl1.54Br.46 |
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Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y |
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The Canadian Mineralogist 44 (2006) 1239-1246 |
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Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 |
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(Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of |
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Hg3S2Cl2-xBrx (x ~ 0.5) |
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Sample: compound II |
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_database_code_amcsd 0006124 |
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18.0409 18.0409 18.0409 90 90 90 Pm3n |
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atom x y z occ Uiso |
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Hg1 .25 .3564 .1436 .038 |
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Hg2 0 .1447 .1355 .034 |
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Hg3 .1153 .5 .1415 .035 |
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Hg4 .1160 .3638 0 .035 |
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S1 .1174 .3680 .1322 .027 |
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S2 .1323 .1323 .1323 .029 |
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Cl1 0 .5 0 .012 |
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Br1 0 0 0 .075 |
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Cl2 0 .2450 0 .72 .037 |
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Br2 0 .2450 0 .28 .037 |
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Cl3 .25 .5 0 .67 .032 |
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Br3 .25 .5 0 .33 .032 |
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Cl4 0 .2486 .2570 .70 .034 |
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Br4 0 .2486 .2570 .30 .034 |
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Cl5 0 .5 .25 .019 |
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Cl6 .25 .25 .25 .023 |
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Hg3S2Br1.5Cl.5 |
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Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y |
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The Canadian Mineralogist 44 (2006) 1247-1255 |
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Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 |
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(Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of |
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Hg3S2Cl2-xBrx (x~0.5) |
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Sample: compound I |
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_database_code_amcsd 0006125 |
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17.824 9.238 10.269 90 115.69 90 C2/m |
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atom x y z Uiso |
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Hg1 .1325 .2378 .5016 .030 |
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Hg2 .2166 .5 .7847 .050 |
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Hg3 .0768 .5 .2259 .049 |
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Hg4 -.0733 .2327 .2057 .028 |
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S1 .0714 .2453 .2461 .024 |
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S2 .1992 .2443 .7614 .022 |
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Cl1 .3820 .5 .0031 .045 |
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Br1 .2496 0 .4954 .025 |
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Br2 0 0 .5 .029 |
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Br3 0 .5 .5 .028 |
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Br4 .1241 .5 -.0134 .051 |
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Hg3S2Br1.5Cl.5 |
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Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y |
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The Canadian Mineralogist 44 (2006) 1247-1255 |
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Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 |
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(Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of |
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Hg3S2Cl2-xBrx (x~0.5) |
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Sample: compound II |
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_database_code_amcsd 0006126 |
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18.248 18.248 18.248 90 90 90 Pm3n |
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atom x y z occ Uiso |
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Hg1 .25 .3575 .1425 .024 |
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Hg2 0 .1438 .1344 .020 |
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Hg3 .1160 .5 .1401 .021 |
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Hg4 .1172 .3643 0 .021 |
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S1 .1188 .3697 .1306 .016 |
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S2 .1315 .1315 .1315 .017 |
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Cl3 0 .2465 0 .329 .014 |
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Br3 0 .2465 0 .671 .014 |
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Br1 0 0 0 .024 |
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Br2 0 .5 0 .029 |
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Br4 .25 .5 0 .71 .013 |
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Cl4 .25 .5 0 .29 .013 |
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Br5 0 .2489 .2550 .83 .019 |
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Cl5 0 .2489 .2550 .17 .019 |
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Br6 0 .5 .25 .54 .011 |
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Cl6 0 .5 .25 .46 .011 |
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Br7 .25 .25 .25 .57 .019 |
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Cl7 .25 .25 .25 .43 .019 |
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Ca(ClO2)2 |
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Smolentsev A I, Naumov D Y |
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Acta Crystallographica E61 (2005) i246-i248 |
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Calcium chlorite, Ca(ClO2)2, from X-ray powder diffraction data |
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Locality: synthetic |
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_database_code_amcsd 0010462 |
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5.7434 12.6002 5.7405 90 90 90 Ccca |
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atom x y z Uiso |
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Ca 0 .25 .25 .0054 |
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Cl .5 .08227 .25 .0172 |
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O .3337 .14953 .0865 .0321 |
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Sr(ClO2)2 |
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Smolentsev A I, Naumov D Y |
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Acta Crystallographica E61 (2005) i249-i250 |
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Strontium chlorite, Sr(ClO2)2, from X-ray powder diffraction data |
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Locality: synthetic |
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_database_code_amcsd 0010463 |
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5.9799 12.7519 5.9787 90 90 90 Ccca |
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atom x y z Uiso |
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Sr 0 .25 .25 .0105 |
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Cl .5 .07460 .25 .0215 |
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O .3443 .1447 .1005 .050 |
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Aktashite |
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Vasil'ev V I, Pervukhina N V, Borisov S V, Magarill S A, Naumov D Y, Kurat'eva N V |
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Geology of Ore Deposits 52 (2010) 656-661 |
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Aktashite Cu6Hg3As4S12 from the Aktash Deposit, Altai, Russia: |
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Refinement and crystal chemical analysis of the structure |
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Locality: Aktash deposit, Gorny Altai, Russia |
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_database_code_amcsd 0018863 |
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13.7500 13.7500 9.3600 90 90 120 R3 |
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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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Cu1 .0565 .1599 .3845 .0112 .013 .013 .010 .0078 .0025 .0009 |
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Cu2 .2251 .2932 .0450 .0128 .016 .010 .014 .0085 -.0022 -.0022 |
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Hg .1054 .3609 .6993 .0118 .0127 .0123 .0104 .0062 .0008 .0014 |
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As1 .2800 .4999 .3683 .0108 .014 .009 .0117 .0072 -.0003 .0023 |
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As2 1/3 2/3 .6829 .0147 .019 .019 .006 .0095 .000 .000 |
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S1 .1067 .3465 .4301 .0193 .020 .015 .019 .006 .003 -.001 |
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S2 .2670 .4706 .1339 .0216 .026 .014 .023 .008 .003 -.001 |
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S3 .1700 .5498 .8058 .0218 .028 .029 .016 .020 -.001 .004 |
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S4 .2285 .2886 .7898 .0303 .037 .025 .030 .016 .000 -.003 |
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