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Bazhenovite |
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Bindi L, Bonazzi P, Dei L, Zoppi A |
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American Mineralogist 90 (2005) 1556-1562 |
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Does the bazhenovite structure really contain a thiosulfate group? |
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A structural and spectroscopic study of a sample from the type locality |
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Sample: Chelyabinsk coal basin, South Urals, Russia |
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_database_code_amcsd 0003932 |
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8.391 17.346 8.221 90 119.33 90 P2_1/c |
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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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Ca1 .2548 .2476 .3706 .0261 .020 .039 .015 -.010 .005 -.005 |
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Ca2 .7542 .2475 .6201 .0279 .020 .046 .012 .006 .003 .003 |
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O1 .1303 .3186 .0641 .035 .038 .036 .030 -.001 .016 .002 |
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O2 .3739 .3207 .6730 .027 .014 .053 .014 -.004 .008 -.002 |
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O3 .7512 .3153 .8665 .033 .023 .045 .031 -.001 .014 .001 |
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O4 .5105 .3231 .3983 .032 .013 .044 .029 -.012 .003 -.005 |
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O5 .0007 .1745 .1438 .027 .030 .044 .023 -.003 .025 -.004 |
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O6 .5063 .1722 .5943 .027 .038 .038 .008 -.006 .013 -.007 |
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O7 -.0036 .3249 .3393 .036 .020 .043 .041 .001 .012 -.001 |
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Ow1 .350 .496 .816 .60 .070 .058 .060 .080 -.007 .024 -.002 |
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Ow2 .312 .473 .658 .40 .089 .100 .016 .179 .055 .090 .049 |
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S1 .811 .504 .897 .44 .050 .061 .055 .030 -.006 .019 -.001 |
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S2 .761 .502 .786 .44 .049 .095 .028 .034 .005 .040 -.003 |
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S3 .904 .500 .672 .34 .091 .136 .089 .086 -.032 .084 -.028 |
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S4 -.006 .498 .199 .51 .092 .169 .053 .056 -.021 .055 -.012 |
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S5 .580 .499 .653 .23 .078 .090 .106 .016 -.005 .009 -.021 |
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S6 .438 .494 .520 .23 .050 .104 .038 .037 .001 .056 .005 |
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H1a .004 .312 .004 |
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H1b .173 .368 .108 |
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H2a .500 .320 .745 |
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H3b .770 .367 .853 |
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H4b .499 .383 .407 |
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H46a .508 .325 .247 |
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H5b -.040 .377 .649 |
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H57a -.002 .325 .491 |
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Hw1 .288 .497 .875 .60 |
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Hw2 .351 .531 .729 .60 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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