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Rauenthalite |
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Catti M, Ivaldi G |
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Acta Crystallographica B39 (1983) 4-10 |
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On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> |
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Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals |
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Locality: Sainte Marie-aux-Mines, Alsace, France |
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_database_code_amcsd 0009786 |
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12.564 12.169 6.195 89.09 79.69 118.58 P-1 |
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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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Ca1 .1852 .5871 .2560 .020 .023 .012 .024 .015 -.001 -.005 |
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Ca2 .1258 .3560 .7921 .018 .020 .010 .023 .011 -.006 .000 |
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Ca3 .1642 .9274 .4295 .018 .020 .013 .021 .012 -.009 -.006 |
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As1 .2783 .2190 .0583 .018 .019 .010 .025 .011 -.009 -.004 |
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As2 .0903 .6369 .7388 .016 .019 .009 .019 .010 -.009 -.005 |
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O1 .195 .223 -.128 .021 |
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O2 .179 .108 .261 .021 |
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O3 .351 .361 .148 .018 |
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O4 .381 .176 -.073 .022 |
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O5 -.052 .621 .832 .014 |
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O6 .064 .494 .674 .022 |
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O7 .158 .732 .506 .023 |
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O8 .176 .688 .929 .016 |
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Wat1 .387 .765 .224 .031 |
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Wat2 .289 .484 .453 .019 |
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Wat3 .307 .523 -.057 .029 |
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Wat4 .067 .227 .482 .020 |
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Wat5 -.093 .160 .904 .019 |
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Wat6 .071 .984 .760 .014 |
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Wat7 .364 .986 .179 .024 |
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Wat8 .315 .007 .647 .040 |
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Wat9 .414 .850 .681 .035 |
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Wat10 .486 .342 .445 .044 |
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