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Szymanskiite |
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Szymanski J T, Roberts A C |
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The Canadian Mineralogist 28 (1990) 709-718 |
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The crystal structure of szymanskiite, a partly disordered (Hg-Hg)2+, |
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(Ni,Mg)2+ hydronium-carbonate-hydroxide-hydrate |
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_database_code_amcsd 0005242 |
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17.3984 17.3984 6.0078 90 90 120 P6_3 |
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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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Hg1 2/3 1/3 .0440 .0444 .04308 .0030 .02154 0 0 |
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Hg2 1/3 2/3 -.0408 .0392 .03791 .0112 .01896 0 0 |
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Hg3 .44218 .29903 .25 .0339 .0143 .0290 .0155 .0060 -.0064 |
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Hg4 .44636 .15674 .2545 .0309 .0133 .0229 .0139 .0046 -.0009 |
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Ni .0049 .5019 -.0093 .68 .0030 .0122 .0061 .0029 .0031 .0030 |
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Mg .0049 .5019 -.0093 .32 .0030 .0122 .0061 .0029 .0031 .0030 |
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O1 .2495 .5667 .241 .0134 |
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O2 .4274 .4141 .237 .014 |
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O3 .4387 .0325 .258 .013 |
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C1 .1683 .5547 .246 .015 |
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O4 .1316 .5428 .062 .015 |
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O5 .1322 .5550 .442 .017 |
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C2 .0425 .2461 .221 .022 |
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O6 .0742 .3328 .297 .062 |
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O7 .228 .040 .313 .200 |
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O8 .111 .230 .207 .064 |
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O9 .2685 .4075 .219 .72 .034 |
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O10 .240 .339 .22 .35 .081 |
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O11 .234 .198 .351 .73 .132 |
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View JMOL 3-D Structure (permalink) |
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