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Nikischerite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 41 (2003) 79-82 |
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The crystal structure of nikischerite, NaFeAl3(SO4)2(OH)18(H2O)12, |
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a mineral of the shigaite group |
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9.347 9.347 33.000 90 90 120 R-3 |
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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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Fe -.0007 .3341 .16683 .022 .020 .020 .024 .010 .001 .001 |
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Al1 0 0 .1651 .026 .017 .017 .042 .009 0 0 |
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Al2 1/3 2/3 1/6 .020 .023 .023 .015 .012 0 0 |
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Na 0 0 0 .050 .052 .052 .046 .026 0 0 |
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S 2/3 1/3 .0383 .034 .034 .034 .035 .017 0 0 |
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O1 1/3 2/3 .0069 .038 .057 .057 .001 .026 0 0 |
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O2 .603 .160 .0543 .049 .084 .021 .031 .019 .004 .001 |
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OH1 .565 .132 .1379 .021 .024 .018 .019 .008 -.014 -.003 |
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OH2 .203 .101 .1351 .025 .024 .036 .023 .022 -.004 .001 |
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OH3 .231 .467 .1357 .023 .025 .014 .035 .015 .001 -.003 |
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Wat1 .127 .425 .0564 .056 .052 .052 .071 .032 .005 .013 |
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Wat2 .212 .178 .0505 .059 .045 .051 .067 .014 .007 .011 |
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