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Ungemachite |
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Groat L A, Hawthorne F C |
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American Mineralogist 71 (1986) 826-829 |
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Structure of ungemachite, K3Na8Fe(SO4)6(NO3)2.6H2O, a mixed |
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sulfate-nitrate mineral |
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Note U(1,2) for N and Na1 have been altered to match symmetry constraints. |
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_database_code_amcsd 0001035 |
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10.898 10.898 24.989 90 90 120 R-3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe 0 0 0 .0092 .0092 .0084 .0046 0 0 |
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S .34609 .17748 .27813 .0097 .0134 .0130 .0056 -.0018 -.0009 |
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N 1/3 2/3 .0951 .0215 .0215 .0245 .01075 0 0 |
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K .5 0 0 .0198 .0295 .0263 .0153 .0002 -.0027 |
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Na1 0 0 .1285 .0255 .0255 .0168 .01275 0 0 |
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Na2 .6440 .8170 .09069 .0248 .0216 .0238 .0119 -.0035 -.0016 |
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O1 .5046 .2737 .28304 .0091 .0283 .0163 .0049 -.0034 .0003 |
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O2 .2824 .1394 .33119 .0182 .0266 .0164 .0089 .0054 .0042 |
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O3 .2953 .2600 .24891 .0212 .0212 .0253 .0135 -.0049 .0019 |
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O4 .3212 .0515 .2485 .0301 .0202 .0277 .0152 -.0089 -.0118 |
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O5 .1200 -.1006 .1700 .0241 .0245 .0158 .0071 -.0012 .0023 |
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O6 .4016 .7990 .0951 .0285 .0165 .0552 .0073 -.0008 -.0004 |
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H5A .774 -.181 .192 .01 |
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H5B .772 -.066 .19 .01 |
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