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Parabutlerite |
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Borene J |
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Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 185-189 |
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Structure cristalline de la parabutlerite |
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_database_code_amcsd 0012131 |
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7.38 20.13 7.22 90 90 90 Pmnb |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe -.0001 .1247 .7885 .0025 .0011 .005 .0001 .0004 .0001 |
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S1 .25 .1226 .4236 .0064 .0009 .0039 0 0 .0006 |
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S2 .75 .1269 .1587 .0041 .0006 .0046 0 0 .0002 |
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O1 .0877 .1383 .5344 .0039 .0026 .0082 .0001 .0003 .0011 |
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O2 -.0884 .1142 .0479 .0045 .0051 .0062 .0015 .0018 .0018 |
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O3 .25 .1644 .2617 .0078 .0042 .0071 0 0 .0036 |
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O4 .25 .0517 .3833 .0489 .0019 .0265 0 0 .0041 |
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O5 .75 .0824 .3160 .0073 .003 .0148 0 0 .0042 |
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O6 .75 .1970 .2099 .0431 .0012 .0472 0 0 .0059 |
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OH1 .25 .1254 .8814 .0035 .0046 .0067 0 0 .0006 |
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OH2 .75 .1231 .6957 .0034 .0019 .0052 0 0 .0003 |
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Wat1 .0105 .0226 .7671 .0281 .0009 .0288 .0062 .0062 .0016 |
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Wat2 -.0134 .2265 .8209 .0183 .0012 .0338 .0013 .0012 .0029 |
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