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Aluminocoquimbite |
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Demartin F, Castellano C, Gramaccioli C M, Campostrini I |
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The Canadian Mineralogist 48 (2010) 323-333 |
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Aluminum-for-iron substitution, hydrogen bonding, |
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and a novel structure-type in coquimbite-like minerals |
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Note: sample vulc2 |
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Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy |
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_database_code_amcsd 0006337 |
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10.7065 10.7065 17.3077 90 90 120 P-31c |
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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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Fe1 0 0 0 .01458 .01610 .01610 .0115 .00805 0 0 |
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Fe2 0 0 .25 .01099 .01102 .01102 .01092 .00551 0 0 |
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Al3 2/3 1/3 -.00824 .01503 .0127 .0127 .0196 .00636 0 0 |
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S .25531 .16880 .124832 .01293 .01124 .01361 .01375 .00607 .00157 .00182 |
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O1 .17500 .06030 .06406 .0191 .0186 .0233 .0161 .0110 -.0024 -.0042 |
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O2 .36509 .14054 .15622 .0203 .0175 .0252 .0217 .0132 -.0015 .0023 |
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O3 .32365 .31459 .09212 .0220 .0188 .0174 .0297 .0091 .0088 .0099 |
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O4 .15347 .15841 .18631 .01637 .0153 .0158 .0161 .0062 .0050 .0010 |
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OW1 .56588 .16639 .05370 .0214 .0192 .0197 .0279 .0118 .0062 .0075 |
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OW2 .45162 .33483 .79333 .0299 .0246 .0331 .0326 .0147 .0019 .0042 |
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OW3 .50030 .26571 -.06857 .0230 .0190 .0182 .0276 .0062 -.0064 .0010 |
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H11 .508 .159 .0888 .049 |
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H12 .610 .121 .0659 .051 |
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H21 .378 .345 .7951 .055 |
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H22a .511 .403 .765 .5 .039 |
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H22b .438 .266 .765 .5 .043 |
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H31 .491 .295 -.1129 .051 |
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H32 .435 .1770 -.0672 .070 |
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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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