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Melanterite |
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Anderson J L, Peterson R C, Swainson I P |
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The Canadian Mineralogist 45 (2007) 457-469 |
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The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O |
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Locality: synthetic |
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14.0774 6.5039 11.0506 90 105.604 90 P2_1/c |
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atom x y z occ Uiso |
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Fe1 0 0 0 .006 |
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Fe2 .5 .5 0 .005 |
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S .2294 .475 .176 .007 |
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O1 .2076 .472 .038 .034 |
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O2 .1415 .537 .215 .015 |
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O3 .3109 .618 .229 .016 |
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O4 .2544 .266 .224 .026 |
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Ow1 .116 .388 .432 .053 |
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Ow2 .106 .954 .182 .034 |
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Ow3 .032 .787 .432 .030 |
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Ow4 .480 .454 .178 .036 |
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Ow5 .433 .283 .442 .038 |
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Ow6 .355 .855 .439 .030 |
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Ow7 .363 .002 .108 .037 |
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D11 .148 .262 .459 .94 .039 |
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H11 .148 .262 .459 .06 .039 |
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D12 .120 .428 .352 .94 .050 |
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H12 .120 .428 .352 .06 .050 |
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D22 .117 .816 .206 .94 .041 |
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H22 .117 .816 .206 .06 .041 |
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D24 .156 .050 .208 .94 .044 |
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H24 .156 .050 .208 .06 .044 |
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D31 .086 .874 .406 .94 .017 |
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H31 .086 .874 .406 .06 .017 |
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D32 .981 .882 .382 .94 .038 |
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H32 .981 .882 .382 .06 .038 |
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D43 .425 .520 .202 .94 .033 |
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H43 .425 .520 .202 .06 .033 |
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D47 .531 .464 .253 .94 .051 |
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H47 .531 .464 .253 .06 .051 |
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D54 .377 .286 .368 .94 .040 |
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H54 .377 .286 .368 .06 .040 |
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D57 .414 .309 .509 .94 .005 |
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H57 .414 .309 .509 .06 .005 |
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D6l .300 .919 .403 .94 .033 |
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H6l .300 .919 .403 .06 .033 |
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D63 .334 .774 .368 .94 .050 |
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H63 .334 .774 .368 .06 .050 |
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D74 .322 .080 .149 .94 .042 |
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H74 .322 .080 .149 .06 .042 |
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D76 .335 .884 .093 .94 .096 |
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H76 .335 .884 .093 .06 .096 |
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