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Hydroniumjarosite |
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Plasil J, Skoda R, Fejfarova K, Cejka J, Kasatkin A V, Dusek M, Talla D, |
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Lapcak L, Machovic V, Dini M |
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Mineralogical Magazine 78 (2014) 535-547 |
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Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: |
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Single-crystal X-ray diffraction and vibrational spectroscopic study |
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Locality: Cerros Pintados, Iquique Province, Chile |
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_database_code_amcsd 0020230 |
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7.3408 7.3408 17.0451 90 90 120 R-3m |
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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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H2 -.053 .053 -.036 .385 .046 |
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O4 0 0 0 .77 .0229 .0263 .0263 .016 .0131 0 0 |
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Na 0 0 0 .2 .0229 .0263 .0263 .016 .0131 0 0 |
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K 0 0 0 .02 .0229 .0263 .0263 .016 .0131 0 0 |
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Fe 1/3 1/6 1/6 .983 .00950 .0074 .0098 .0105 .00368 .00027 .00014 |
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Al 1/3 1/6 1/6 .01 .00950 .0074 .0098 .0105 .00368 .00027 .00014 |
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S 2/3 1/3 .02556 .985 .0107 .0119 .0119 .0082 .00594 0 0 |
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Si 2/3 1/3 .02556 .015 .0107 .0119 .0119 .0082 .00594 0 0 |
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O1 2/3 1/3 -.06013 .0157 .0190 .0190 .0090 .0095 0 0 |
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O2 .4472 .22362 .05494 .0157 .0108 .0209 .0120 .0054 .0007 .0003 |
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O3 .12726 .2545 .13504 .0172 .0101 .0133 .0293 .0066 .0048 .0097 |
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H1 .1752 .350 .1094 .0206 |
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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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