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Cafarsite |
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Gatta G D, Rotiroti N, Camara F, Meven M |
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Physics and Chemistry of Minerals 45 (2018) 819-829 |
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On the labyrinthine world of arsenites: a single-crystal neutron and |
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X-ray diffraction study of cafarsite |
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Note: xray final |
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Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola |
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province, Italy |
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_database_code_amcsd 0020738 |
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15.9507 15.9507 15.9507 90 90 90 *Pn3 |
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.25 .25 .25 |
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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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As1 .376381 .376381 .376381 .00541 .00541 .00541 .00541 .00145 .00145 .00145 |
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As2 .229208 .977835 .038446 .00445 .00514 .00409 .00412 -.00095 -.00038 .00027 |
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As3 .392756 .640833 .351641 .00808 .01166 .00575 .00682 -.00045 .00410 .00077 |
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Ca1a .1527 .1527 .1527 .143 .0020 |
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Ca1b .16339 .16339 .16339 .857 .0020 |
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Ca2 .09341 .62515 .35629 1.012 .00640 .0060 .0069 .0063 -.00210 -.00076 .00032 |
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Ti1a .95176 .75 .25 .642 .00370 .0029 .0047 .0035 0 0 .00121 |
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Ti1b .95176 .75 .25 .358 .00370 .0029 .0047 .0035 0 0 .00121 |
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Fe1 .25 .75 .75 .868 .0330 .0868 .0030 .0092 0 0 0 |
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Fe2 -.00609 .25 .25 .822 .00229 .0012 .0027 .0030 0 0 -.0015 |
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Mn1a 0 0 0 .413 .00516 .0052 .0052 .0052 .00143 .00143 .00143 |
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Mn1b 0 0 0 .587 .00516 .0052 .0052 .0052 .00143 .00143 .00143 |
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O1 -.00547 .98129 .13702 .0075 .0091 .0055 .0080 .0033 .0000 -.0024 |
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O2 .30976 .00360 .35984 .0080 .0113 .0096 .0032 -.0017 -.0013 .0018 |
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O3 .28784 .63300 .04765 .0082 .0106 .0032 .0109 .0011 -.0019 -.0009 |
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O4 .16380 .73782 .14561 .0094 .0085 .0075 .0123 .0000 .0046 .0015 |
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O5 .17405 .59476 .22248 1.067 .0432 .0361 .0543 .0393 .0353 .0211 .0343 |
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O6 .03245 .66390 .22564 .0084 .0074 .0095 .0083 .0027 .0029 .0009 |
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O7 .17329 .41767 .21345 1.027 .0208 .0254 .0279 .0091 -.0177 .0011 -.0077 |
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F .75 .75 .75 .941 .0096 .0096 .0096 .0096 0 0 0 |
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