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Parascorodite |
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Perchiazzi N, Ondrus P, Skala R |
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European Journal of Mineralogy 16 (2004) 1003-1007 |
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Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4 |
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_database_code_amcsd 0007087 |
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8.9232 8.9232 9.9296 90 90 120 P-3c1 |
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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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Fe1 1/3 2/3 .3070 .056 .058 .058 .051 .029 0 0 |
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Fe2 0 0 0 .038 .048 .048 .017 .024 0 0 |
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Wat .8615 .5046 .0642 .014 |
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As1 .2735 0 .25 .020 .019 .021 .017 .010 -.0001 -.0003 |
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O1 .4621 .1664 .2999 .012 |
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O2 .2136 .0695 .1175 .017 |
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