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Cannizzarite |
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Topa D, Makovicky E, Dittrich H |
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The Canadian Mineralogist 48 (2010) 483-495 |
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The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy |
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Locality: Vulcano, Italy |
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_database_code_amcsd 0006281 |
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38.86 4.090 39.83 90 102.30 90 P2_1/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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PbMe1 .0318 .75 .2191 .023 .018 .020 .027 0 -.002 0 |
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PbMe2 .0098 .25 .3147 .027 .042 .020 .016 0 -.001 0 |
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BiMe3 .1050 .75 .3093 .020 .021 .017 .020 0 .001 0 |
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BiMe4 .1027 .25 .3970 .020 .024 .027 .008 0 .001 0 |
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PbMe5 .1962 .75 .3929 .028 .033 .029 .024 0 .010 0 |
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PbMe6 .1749 .25 .4883 .030 .025 .032 .035 0 .012 0 |
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BiMe7 .2681 .75 .4830 .025 .017 .027 .030 0 .005 0 |
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PbMe8 .2633 .25 .5737 .031 .031 .028 .034 0 .004 0 |
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PbMe9 .3643 .75 .5541 .034 .046 .034 .019 0 .002 0 |
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BiMe10 .3508 .25 .6447 .030 .047 .023 .019 0 .004 0 |
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PbMe11 .4450 .75 .6420 .5 .035 .043 .031 .026 0 -.002 0 |
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BiMe11 .4450 .75 .6420 .5 .035 .043 .031 .026 0 -.002 0 |
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PbMe12 .4252 .25 .7344 .026 .026 .027 .018 0 -.011 0 |
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PbMe13 .4751 .25 .2800 .5 .031 .027 .025 .033 0 -.011 0 |
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BiMe13 .4751 .25 .2800 .5 .031 .027 .025 .033 0 -.011 0 |
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BiMe14 .4793 .75 .1903 .022 .023 .018 .026 0 .007 0 |
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PbMe15 .3869 .25 .1963 .026 .016 .024 .037 0 .002 0 |
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PbMe16 .4070 .75 .1001 .027 .031 .017 .031 0 .004 0 |
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BiMe17 .3134 .25 .1056 .020 .017 .013 .030 0 .003 0 |
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BiMe18 .3158 .75 .0172 .027 .030 .011 .037 0 .002 0 |
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PbMe19 .2195 .25 .0253 .028 .037 .019 .031 0 .014 0 |
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PbMe20 .2410 .75 .9318 .021 .015 .013 .033 0 -.001 0 |
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BiMe21 .1474 .25 .9349 .019 .020 .010 .027 0 .005 0 |
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PbMe22 .1566 .75 .8439 .027 .028 .016 .035 0 .001 0 |
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PbMe23 .0550 .25 .8664 .023 .032 .017 .015 0 -.010 0 |
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BiMe24 .0617 .75 .7755 .020 .020 .019 .018 0 -.002 0 |
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PbMe25 .0415 .25 .9811 .014 .011 .006 .021 0 -.007 0 |
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BiMe26 .0304 .25 .0867 .014 .010 .012 .015 0 -.007 0 |
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BiMe27 .1176 .75 .0504 .014 .013 .006 .018 0 -.008 0 |
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PbMe28 .1036 .75 .1552 .5 .018 .016 .007 .025 0 -.011 0 |
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BiMe28 .1036 .75 .1552 .5 .018 .016 .007 .025 0 -.011 0 |
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PbMe29 .1869 .25 .1244 .5 .015 .016 .008 .019 0 -.001 0 |
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BiMe29 .1869 .25 .1244 .5 .015 .016 .008 .019 0 -.001 0 |
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PbMe30 .1701 .25 .2290 .5 .020 .016 .011 .029 0 -.004 0 |
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BiMe30 .1701 .25 .2290 .5 .020 .016 .011 .029 0 -.004 0 |
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PbMe31 .2593 .75 .1974 .5 .016 .021 .008 .016 0 -.002 0 |
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BiMe31 .2593 .75 .1974 .5 .016 .021 .008 .016 0 -.002 0 |
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PbMe32 .2406 .75 .3019 .017 .012 .016 .018 0 -.004 0 |
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BiMe33 .3253 .25 .2724 .017 .011 .011 .024 0 -.005 0 |
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PbMe34 .3089 .25 .3767 .5 .014 .005 .019 .013 0 -.008 0 |
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BiMe34 .3089 .25 .3767 .5 .014 .005 .019 .013 0 -.008 0 |
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PbMe35 .3969 .75 .3424 .016 .009 .019 .015 0 -.006 0 |
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PbMe36 .3847 .75 .4474 .5 .016 .019 .022 .005 0 .002 0 |
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BiMe36 .3847 .75 .4474 .5 .016 .019 .022 .005 0 .002 0 |
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PbMe37 .4679 .25 .4122 .019 .015 .016 .021 0 -.007 0 |
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BiMe38 .4567 .25 .5173 .017 .013 .028 .006 0 -.006 0 |
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BiMe39 .4572 .75 .0147 .020 .022 .015 .022 0 .006 0 |
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BiMe40 .4751 .75 .9101 .024 .029 .015 .025 0 .001 0 |
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PbMe41 .3868 .25 .9428 .5 .021 .025 .017 .024 0 .008 0 |
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BiMe41 .3868 .25 .9428 .5 .021 .025 .017 .024 0 .008 0 |
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PbMe42 .4012 .25 .8375 .5 .023 .024 .018 .026 0 -.001 0 |
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BiMe42 .4012 .25 .8375 .5 .023 .024 .018 .026 0 -.001 0 |
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PbMe43 .3180 .75 .8708 .5 .019 .025 .019 .015 0 .009 0 |
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BiMe43 .3180 .75 .8708 .5 .019 .025 .019 .015 0 .009 0 |
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BiMe44 .3301 .75 .7655 .022 .027 .016 .024 0 .009 0 |
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BiMe45 .2443 .25 .8012 .020 .020 .019 .027 0 .005 0 |
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PbMe46 .2545 .25 .6940 .5 .024 .032 .028 .014 0 .007 0 |
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BiMe46 .2545 .25 .6940 .5 .024 .032 .028 .014 0 .007 0 |
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PbMe47 .1720 .75 .7329 .028 .024 .028 .031 0 .001 0 |
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BiMe48 .1827 .75 .6275 .027 .025 .031 .027 0 .006 0 |
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BiMe49 .0951 .25 .6638 .030 .031 .028 .037 0 .016 0 |
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BiMe50 .1098 .25 .5594 .024 .026 .038 .013 0 .013 0 |
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PbMe51 .0261 .75 .5893 .032 .030 .039 .027 0 .009 0 |
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BiMe52 .0448 .75 .4855 .032 .033 .042 .024 0 .012 0 |
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S1 .0616 .25 .2743 .041 |
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S2 .0624 .75 .3544 .013 |
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S3 .1465 .25 .3532 .017 |
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S4 .1460 .75 .4334 .000 |
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S5 .2260 .25 .4450 .019 |
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S6 .2243 .75 .5250 .020 |
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S7 .3067 .25 .5241 .021 |
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S8 .3178 .75 .5999 .008 |
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S9 .3969 .25 .6044 .013 |
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S10 .3958 .75 .6831 .015 |
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S11 .4751 .25 .6912 .036 |
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S12 .5175 .25 .2343 .009 |
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S13 .4351 .75 .2332 .004 |
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S14 .4365 .25 .1543 .018 |
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S15 .3564 .75 .1430 .015 |
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S16 .3578 .25 .0608 .008 |
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S17 .2736 .75 .0645 .013 |
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S18 .2720 .25 .9862 .023 |
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S19 .1924 .75 .9734 .000 |
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S20 .1956 .25 .8945 .000 |
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S21 .1138 .75 .8923 .014 |
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S22 .0988 .25 .8173 .020 |
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S23 .0192 .75 .8194 .002 |
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S24 .9833 .75 .2601 .020 |
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S25 .0398 .75 .9300 .57 .024 |
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Se25 .0398 .75 .9300 .43 .024 |
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S26 .0359 .75 .0338 .020 |
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S27 .0291 .75 .1336 .86 .014 |
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Se27 .0291 .75 .1336 .14 .014 |
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S28 .1193 .25 .0029 .69 .020 |
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Se28 .1193 .25 .0029 .31 .020 |
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S29 .1126 .25 .1014 .008 |
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S30 .0965 .25 .2016 .62 .022 |
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Se30 .0965 .25 .2016 .38 .022 |
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S31 .1876 .75 .0742 .77 .027 |
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Se31 .1876 .75 .0742 .23 .027 |
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S32 .1793 .75 .1765 .013 |
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S33 .1668 .75 .2745 .90 .016 |
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Se33 .1668 .75 .2745 .10 .016 |
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S34 .2624 .25 .1523 .012 |
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S35 .2479 .25 .2497 .005 |
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S36 .2367 .25 .3512 .73 .023 |
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Se36 .2367 .25 .3512 .27 .023 |
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S37 .3303 .75 .2251 .67 .025 |
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Se37 .3303 .75 .2251 .33 .025 |
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S38 .3160 .75 .3239 .008 |
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S39 .3085 .75 .4246 .76 .025 |
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Se39 .3085 .75 .4246 .24 .025 |
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S40 .3971 .25 .2946 .001 |
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S41 .3893 .25 .3946 .89 .021 |
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Se41 .3893 .25 .3946 .11 .021 |
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S42 .3858 .25 .4976 .006 |
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S43 .4719 .75 .3637 .44 .031 |
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Se43 .4719 .75 .3637 .56 .031 |
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S44 .4606 .75 .4665 .007 |
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S45 .4546 .75 .5645 .015 |
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S46 .4546 .25 .0622 .003 |
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S47 .4637 .25 .9639 .022 |
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S48 .4772 .25 .8628 .023 |
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S49 .3859 .75 .9904 .009 |
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S50 .3960 .75 .8891 .031 |
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S51 .4001 .75 .7877 .009 |
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S52 .3134 .25 .9189 .82 .012 |
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Se52 .3134 .25 .9189 .18 .012 |
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S53 .3238 .25 .8201 .029 |
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S54 .3307 .25 .7193 .007 |
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S55 .2444 .75 .8478 .004 |
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S56 .2481 .75 .7461 .019 |
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S57 .2554 .75 .6449 .004 |
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S58 .1728 .25 .7844 .031 |
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S59 .1770 .25 .6795 .026 |
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S60 .1820 .25 .5802 .78 .034 |
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Se60 .1820 .25 .5802 .22 .034 |
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S61 .0928 .75 .7101 .89 .015 |
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Se61 .0928 .75 .7101 .11 .015 |
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S62 .1058 .75 .6107 .041 |
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S63 .1157 .75 .5157 .015 |
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S64 .0271 .25 .6402 .035 |
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S65 .0315 .25 .5394 .057 |
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S66 .0485 .25 .4401 .026 |
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| Download AMC data (View Text File)
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Watkinsonite |
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Topa D, Makovicky E, Sejkora J, Dittrich H |
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The Canadian Mineralogist 48 (2010) 1109-1118 |
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The crystal structure of watkinsonite, Cu2PbBi4Se8, |
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from the Zalesi uranium deposit, Czech Republic |
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Locality: Zalesi uranium deposit, Czech Republic |
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_database_code_amcsd 0017825 |
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12.952 4.1523 15.155 90 108.931 90 P2_1/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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Cu1 .3788 .25 .9009 .68 .088 .060 .184 .025 0 .021 0 |
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Ag1 .3860 .25 .9006 .32 .079 .109 .097 .007 0 -.012 0 |
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Cu2 .47134 .25 .53715 .0258 .030 .012 .037 0 .014 0 |
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Pb .23691 .25 .33139 .0288 .0255 .0174 .0438 0 .0117 0 |
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Bi1 .04295 .25 .88759 .0167 .0176 .0126 .0189 0 .0043 0 |
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Bi2 .56525 .25 .29021 .0161 .0152 .0128 .0193 0 .0042 0 |
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Bi3 .70545 .25 .90960 .0173 .0155 .0120 .0224 0 .0034 0 |
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Bi4 .92454 .25 .37818 .0213 .0187 .0167 .0257 0 .0031 0 |
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Se1 .12568 .25 .50967 .0141 .0126 .013 .016 0 .004 0 |
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Se2 .13530 .25 .11562 .0152 .0127 .014 .017 0 .003 0 |
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Se3 .30144 .25 .73696 .0189 .0137 .013 .030 0 .007 0 |
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Se4 .43836 .25 .06837 .0185 .0173 .014 .026 0 .009 0 |
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Se5 .61451 .25 .70857 .0161 .0150 .012 .021 0 .006 0 |
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Se6 .63573 .25 .48096 .0151 .0135 .012 .018 0 .002 0 |
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Se7 .80926 .25 .11716 .0155 .0132 .013 .020 0 .004 0 |
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Se8 .95263 .25 .69674 .0136 .0136 .011 .015 0 .003 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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SnSb4S7 |
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Topa D, Makovicky E, Schimper H J, Stadler A, Basch A, Dittrich H, Amthauer G |
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The Canadian Mineralogist 48 (2010) 1119-1126 |
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The crystal structure of SnSb4S7, a new member of the meneghinite homologous series |
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Locality: synthetic |
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_database_code_amcsd 0017824 |
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11.331 3.865 13.940 90 105.281 90 P2_1/m |
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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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Sn .3791 .25 .2141 .0306 .0454 .0212 .0257 0 .0100 0 |
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Sb1 .6695 .25 .4753 .0173 .0208 .0114 .0195 0 .0049 0 |
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Sb2 .9477 .25 .8864 .0171 .0221 .0111 .0204 0 .0095 0 |
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Sb3 .6608 .25 .0500 .0315 .0400 .0173 .0368 0 .0096 0 |
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Sb4 .0768 .25 .6260 .0220 .0298 .0191 .0199 0 .0116 0 |
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S1 .7524 .25 .3251 .0153 .015 .017 .014 0 .005 0 |
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S2 .9573 .25 .1838 .0221 .027 .020 .022 0 .011 0 |
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S3 .1079 .25 .4583 .0145 .018 .014 .015 0 .009 0 |
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S4 .7646 .25 .7418 .0199 .02 .018 .020 0 .006 0 |
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S5 .4696 .25 .6040 .0151 .014 .011 .021 0 .006 0 |
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S6 .4934 .25 .8896 .0207 .022 .019 .021 0 .006 0 |
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S7 .2327 .25 .0371 .0161 .015 .015 .018 0 .005 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ag2.25Pb2.5Bi4.25S10 |
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Topa D, Makovicky E, Schimper H J, Dittrich H |
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The Canadian Mineralogist 48 (2010) 1127-1135 |
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The crystal structure of a synthetic orthorhombic N = 8 |
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member of the lillianite homologous series |
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Locality: synthetic |
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_database_code_amcsd 0017871 |
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4.084 13.453 33.932 90 90 90 Cmcm |
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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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Pb1 0 .09232 .42149 .529 .0343 .0317 .0308 .0404 0 0 -.0027 |
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Ag1 0 .09232 .42149 .471 .0343 .0317 .0308 .0404 0 0 -.0027 |
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Pb2 0 .27343 .25 .0465 .0313 .0407 .0674 0 0 0 |
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Bi1 0 .18070 .63252 .0290 .0271 .0289 .0309 0 0 .0012 |
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Bi2 0 .36320 .47431 .742 .0335 .0322 .0345 .0338 0 0 .0005 |
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Ag2 0 .36320 .47431 .258 .0335 .0322 .0345 .0338 0 0 .0005 |
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Bi3 0 .45846 .68301 .564 .0358 .0307 .0374 .0393 0 0 .0011 |
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Ag3 0 .45846 .68301 .436 .0358 .0307 .0374 .0393 0 0 .0011 |
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S1 0 0 .5 .041 .033 .033 .055 0 0 -.006 |
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S2 0 .09056 .70066 .029 .032 .030 .027 0 0 .001 |
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S3 0 .19142 .34185 .0378 .029 .032 .053 0 0 -.012 |
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S4 0 .27505 .54923 .0398 .040 .039 .041 0 0 .004 |
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S5 0 .36942 .75 .038 .028 .028 .057 0 0 0 |
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S6 0 .45315 .39715 .0389 .036 .036 .045 0 0 -.004 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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