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Cafarsite |
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Edenharter A, Nowacki W, Weibel M |
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Schweizerische Mineralogische und Petrographische Mitteilungen 57 (1977) 1-16 |
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Zur Struktur und Zusammensetzung von Cafarsit, Cafarsit ein As(III)-oxid, kein Arsenat |
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Locality: synthetic |
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Note: Water positions were not determined |
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_database_code_amcsd 0015405 |
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15.984 15.984 15.984 90 90 90 *Pn3 |
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.25 .25 .25 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As1 .3735 .3735 .3735 .85 .0021 .0021 .0021 .0001 .0001 .0001 |
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As2 .2300 .9763 .0376 .90 .0022 .0019 .0020 0 0 .0001 |
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As3 .3918 .6399 .3508 .68 .0015 .0010 .0012 0 .0003 .0001 |
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Ca1 .1561 .1561 .1561 .98 .0039 .0039 .0039 .0017 .0017 .0017 |
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Ca2 .0934 .6258 .3556 .66 .0005 .0008 .0006 -.0001 0 .0002 |
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Ti .9511 .75 .25 .0015 .0019 .0019 0 0 .0003 |
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Fe1 .25 .75 .75 .74 .0122 .0010 .0017 0 0 0 |
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Fe2 -.0031 .25 .25 .62 .0015 .0018 .0016 0 0 0 |
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Mn1 0 0 0 .80 .0019 .0019 .0019 .0001 .0001 .0001 |
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Mn2 -.0031 .25 .25 .30 .0015 .0018 .0016 0 0 0 |
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O1 -.0027 .9834 .1381 .97 .0025 .0019 .0025 .0016 0 -.0002 |
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O2 .3059 .0032 .3631 .94 .0027 .0024 .0016 -.0001 -.0008 .0003 |
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O3 .2915 .6332 .0465 .0029 .0017 .0024 -.0002 .0005 .0003 |
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O4 .1657 .7367 .1467 .87 .0018 .0018 .0013 .0004 0 -.0002 |
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O5 .1730 .5911 .2228 .0071 .0071 .0051 .0057 .0029 .0031 |
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O6 .0329 .6621 .2239 .0023 .0027 .0025 -.0005 .0008 -.0007 |
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O7 .1746 .4148 .2178 .0062 .0059 .0020 -.0029 -.0003 -.0002 |
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View JMOL 3-D Structure (permalink) |
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