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Parnauite |
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Mills S J, Kampf A R, McDonald A M, Bindi L, Christy A G, Kolitsch U, Favreau G |
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European Journal of Mineralogy 25 (2013) 693-704 |
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The crystal structure of parnauite: a copper arsenate-sulphate |
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with translational disorder of structural rods |
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Locality: Cap Garonne, Var, France |
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_database_code_amcsd 0020148 |
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3.0088 14.212 14.890 90 90 90 Pmn2_1 |
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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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Cu1 0 .1382 .2329 .0322 .019 .062 .015 0 0 .006 |
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Cu2 .5 -.2571 .0528 .0410 .043 .052 .028 0 0 -.005 |
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Cu3 0 -.3280 .8717 .0380 .025 .074 .015 0 0 -.001 |
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Cu4 .5 .0714 .0559 .0431 .023 .090 .016 0 0 .000 |
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Cu5 0 -.2135 .2260 .5 .062 .072 .073 .041 0 0 .006 |
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Cu6 0 .0401 -.1313 .5 .051 .064 .072 .016 0 0 -.023 |
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As1 0 -.1062 .1873 .5 .043 .037 .074 .019 0 0 -.007 |
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As2 0 -.0777 -.0768 .5 .031 .038 .035 .019 0 0 -.003 |
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O1 .5 .164 .147 .037 |
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O2 0 -.085 -.186 .032 |
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O3 0 .014 .129 .036 |
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O4 0 -.187 -.019 .073 |
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O5 .5 -.3589 -.0478 .017 |
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O6 .5 -.168 .148 .053 |
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O7 0 -.309 .121 .082 |
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O8 .5 -.021 -.049 .031 |
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O9 0 -.107 .303 .070 |
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O10 0 .294 .298 .039 |
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O11A 0 .185 -.040 .15 .08 |
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O11B 0 .115 -.020 .85 .085 |
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Wat1 0 -.320 .335 .5 .12 |
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Wat2 0 .393 .051 .5 .036 |
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Wat3 0 -.501 .823 .15 .044 |
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Wat4A 0 -.377 .146 .15 .06 |
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Wat4B 0 -.482 .163 .35 .03 |
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Wat5 .5 -.453 -.120 .5 .034 |
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