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Nanlingite |
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Yang Z, Giester G, Ding K, Tillmanns E |
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European Journal of Mineralogy 23 (2011) 63-71 |
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Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration |
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Locality: Nanling area, Hunan Province, China |
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_database_code_amcsd 0018326 |
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10.2114 10.2114 25.689 90 90 120 R-3m |
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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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As(1) 0 0 .340985 .00569 .00569 .00569 .00569 .00284 0 0 |
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As(2) .218805 .781195 .116669 .00582 .00574 .00574 .00532 .00238 -.00030 .00030 |
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Fe 0 0 .5 .00564 .00599 .00599 .00495 .00300 0 0 |
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Mg(1) .90403 .45201 .10159 .846 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120 |
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Fe(1) .90403 .45201 .10159 .154 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120 |
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Mg(2) .65072 0 0 .982 .00770 .0079 .0068 .0081 .00338 .00012 .00025 |
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Fe(2) .65072 0 0 .018 .00770 .0079 .0068 .0081 .00338 .00012 .00025 |
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Ca .88623 .11377 .11426 .727 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
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Na .88623 .11377 .11426 .050 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
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Li .8755 .1245 .0928 .223 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
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Na 0 0 0 .918 .0152 .0184 .0184 .0087 .0092 0 0 |
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Li 0 0 0 .082 .0152 .0184 .0184 .0087 .0092 0 0 |
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O(1) .42367 .84734 -.02334 .00741 .0080 .0062 .0074 .0031 .00036 .0007 |
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O(2) .67253 .06133 -.07812 .00957 .0096 .0086 .0077 .0025 .0007 .0029 |
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O(3) .86125 .13875 -.15542 .0135 .0164 .0164 .0095 .0095 .0030 -.0030 |
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F(1) 0 0 .08423 .0330 .0382 .0382 .0226 .0191 0 0 |
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F(2) .23719 .76281 -.11937 .0194 .0142 .0142 .0193 -.0007 .0029 -.0029 |
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F(3) .27621 .13811 .02104 .01185 .0155 .0093 .0128 .0077 .0004 .00020 |
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View JMOL 3-D Structure (permalink) |
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