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Romanechite |
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Turner S, Post J E |
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American Mineralogist 73 (1988) 1155-1161 |
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Refinement of the substructure and superstructure of romanechite |
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_database_code_amcsd 0001198 |
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13.929 2.8459 9.678 90 92.39 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 0 .5 0 .0181 .0024 .0097 0 .0042 0 |
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Mn2 .99978 0 .2682 .0140 .0035 .0093 0 .0010 0 |
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Mn3 .3401 0 .4841 .0139 .0037 .0102 0 .0018 0 |
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O1 .5669 0 .1773 .0187 .0035 .0134 0 .0037 0 |
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O2 .0976 0 .4244 .0188 .0041 .0144 0 -.0012 0 |
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O3 .7663 0 .3958 .0168 .0054 .0114 0 .0012 0 |
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O4 .4248 0 .3354 .0158 .0043 .0136 0 .0044 0 |
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O5 .9263 0 .0721 .0222 .0047 .0303 0 .0108 0 |
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Ba .2466 0 .1242 .33 .0131 .0119 .0127 0 .0009 0 |
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OH .250 0 .131 .59 |
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