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Bechererite |
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Giester G, Rieck B |
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American Mineralogist 81 (1996) 244-248 |
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Bechererite, (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2, a novel mineral species from the |
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Tonopah-Belmont mine, Arizonia |
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Note: U(1,2) changed for Si, S, O1, OH1 to match symmetry constraints. |
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_database_code_amcsd 0001776 |
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8.319 8.319 7.377 90 90 120 P-3 |
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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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Zn1 .4199 .2853 -.0005 .823 .019 .014 .027 .009 -.002 0 |
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Cu1 .4199 .2853 -.0005 .167 .019 .014 .027 .009 -.002 0 |
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Zn2 0 0 .2447 .020 .020 .019 .010 0 0 |
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Si 1/3 2/3 .4039 .5 .035 .035 .033 .0175 0 0 |
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S 1/3 2/3 .4039 .5 .035 .035 .033 .0175 0 0 |
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H1 .35 .39 .48 .48 |
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H2 .23 .32 .26 .26 |
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H3 .45 .10 .24 .24 |
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O1 1/3 2/3 .186 .033 .033 .042 .0165 0 0 |
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O2 .328 .489 .478 .065 .029 .029 .034 -.003 -.001 |
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OH1 0 0 .5 .149 .149 .008 .0745 0 0 |
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Oh2 .189 .244 .164 .025 .030 .018 .012 -.004 -.007 |
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Oh3 .478 .104 .124 .021 .015 .022 .005 .005 .001 |
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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 (permalink) |
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Bechererite |
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Hoffmann C, Armbruster T, Giester G |
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American Mineralogist 82 (1997) 1014-1018 |
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The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] |
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Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints. |
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_database_code_amcsd 0001950 |
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8.319 8.319 7.377 90 90 120 P3 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn1 .1326 .4136 .9997 .0113 .0125 .0293 .0076 -.0007 -.0014 |
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Zn11 .8628 .5734 .0007 .0096 .0117 .0293 .0054 -.0017 -.0014 |
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Zn2 0 0 .2469 .0181 .0181 .020 .00905 0 0 |
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Zn21 0 0 .7571 .0133 .0133 .020 .00665 0 0 |
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S 1/3 2/3 .5902 .016 .016 .018 .008 0 0 |
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Si 2/3 1/3 .3926 .012 .012 .017 .006 0 0 |
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H4 .877 .248 .212 2.37 |
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H41 .050 .748 .729 2.37 |
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H5 .347 .500 .245 2.37 |
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H51 .630 .587 .764 2.37 |
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O1 1/3 2/3 .790 .027 .027 .013 .0135 0 0 |
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O11 2/3 1/3 .163 .020 .020 .028 .010 0 0 |
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O2 .1710 .6756 .5230 .028 .039 .020 .024 -.005 -.004 |
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O21 .8536 .334 .478 .035 .065 .035 .026 -.002 -.012 |
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O4 .9435 .1867 .168 .013 .026 .023 .008 -.003 -.009 |
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O41 .0523 .8045 .839 .017 .015 .026 .011 .004 .006 |
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O5 .3752 .4826 .126 .012 .018 .021 .008 .002 -.004 |
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O51 .6288 .5284 .873 .014 .015 .019 .010 .000 .003 |
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O3 .051 .060 .501 1.5 |
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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 (permalink) |
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