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Elbaite |
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Diego Gatta G, Danisi R M, Adamo I, Meven M, Diella V |
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Physics and Chemistry of Minerals 39 (2012) 577-588 |
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A single-crystal neutron and X-ray diffraction study of elbaite |
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Note: neutron data |
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Locality: pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil |
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_database_code_amcsd 0019364 |
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15.8560 15.8560 7.1079 90 90 120 R3m |
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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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NaX 0 0 .2356 .73 .018 |
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CaX 0 0 .2356 .06 .018 |
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AlY .1245 .06225 .6310 .41 .004 |
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LiY .1245 .06225 .6310 .34 .004 |
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FeY .1245 .06225 .6310 .14 .004 |
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MnY .1245 .06225 .6310 .06 .004 |
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MgY .1245 .06225 .6310 .02 .004 |
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AlZ .2973 .2601 .6117 .0043 |
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B .10929 .21858 .4541 .0042 |
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SiT .1918 .1900 .0004 .0021 |
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H .2624 .1312 .3734 .024 .041 .026 .012 .0205 .002 .001 |
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F1 0 0 .7829 .54 .053 .074 .074 .011 .0352 0 0 |
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OH1 0 0 .7829 .46 .053 .074 .074 .011 .0352 0 0 |
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O2 .0606 .1212 .4843 .0140 .020 .005 .012 .0025 .0005 .001 |
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O3 .2690 .1345 .5084 .0082 |
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O4 .09298 .18596 .0726 .0071 |
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O5 .1866 .0933 .0946 .0069 |
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O6 .1964 .1861 .7756 .0044 |
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O7 .2862 .2858 .0799 .0041 |
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O8 .2100 .2710 .4414 .0051 |
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View JMOL 3-D Structure (permalink) |
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