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Meniaylovite |
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Mathew M, Takagi S, Waerstad K R, Frazier A W |
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American Mineralogist 66 (1981) 392-397 |
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The crystal structure of synthetic chukhrovite, Ca4AlSi(SO4)F13*12H2O |
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_database_code_amcsd 0000826 |
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16.710 16.710 16.710 90 90 90 *Fd3 |
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.125 .125 .125 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .29171 .29171 .29171 0.0217 0.0217 0.0217 -.0027 -.0027 -.0027 |
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Si .5 .5 .5 .5 0.0139 0.0139 0.0139 -.0017 -.0017 -.0017 |
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Al .5 .5 .5 .5 0.0139 0.0139 0.0139 -.0017 -.0017 -.0017 |
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S .125 .125 .125 0.0172 0.0172 0.0172 0 0 0 |
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O .07396 .07396 .07396 0.0233 0.0233 0.0233 -.0029 -.0029 -.0029 |
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F1 .375 .375 .375 0.0168 0.0168 0.0168 0 0 0 |
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F2 .22049 .33649 .45070 0.0252 0.0181 0.0361 -.0005 0.0011 0.0072 |
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OW .15481 .24744 .30479 0.0286 0.0530 0.0237 -.0141 0.0012 -.0039 |
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H1 .126 .222 .271 3.5 |
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H2 .135 .231 .345 5.5 |
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