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Oxy-dravite |
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Gatta G D, Bosi F, McIntyre G J, Skogby H |
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Mineralogical Magazine 78 (2014) 681-692 |
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First accurate location of two proton sites in tourmaline: A single-crystal |
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neutron diffraction study of oxy-dravite |
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Note: H1 site on the three-fold axis |
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Locality: Osarara, Narok District, Kenya |
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_database_code_amcsd 0020483 |
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15.9272 15.9272 7.2001 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 .2323 .866 .0105 .0082 .0082 .0150 .0041 0 0 |
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AlY .12264 .06132 .63587 .526 .00528 .0054 .0033 .0078 .0027 .0028 .0014 |
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MgY .12264 .06132 .63587 .274 .00528 .0054 .0033 .0078 .0027 .0028 .0014 |
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FeY .12264 .06132 .63587 .2 .00528 .0054 .0033 .0078 .0027 .0028 .0014 |
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AlZ .29767 .26140 .61072 .841 .00251 .0023 .0020 .0030 .0008 .0004 .0001 |
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MgZ .29767 .26140 .61072 .159 .00251 .0023 .0020 .0030 .0008 .0004 .0001 |
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B .10991 .21982 .45430 .00353 .0023 .0022 .0060 .0011 .0004 .0007 |
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SiT .19161 .18988 .00084 .00300 .0028 .0023 .0039 .0013 .0005 .0004 |
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O1 0 0 .77115 .00943 .0111 .0111 .0060 .0056 0 .0000 |
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O2 .06069 .12138 .48767 .00766 .0096 .0032 .0080 .0016 .0004 .0009 |
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O3 .26138 .13069 .50988 1.008 .01060 .0188 .0104 .0054 .0094 .0007 .0004 |
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O4 .09379 .18759 .07268 .00618 .0042 .0088 .0071 .0044 .0007 .0014 |
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O5 .18437 .09219 .09380 .00603 .0082 .0042 .0070 .0041 .0007 .0003 |
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O6 .19456 .18438 .77774 .00579 .0073 .0075 .0045 .0052 .0007 .0008 |
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O7 .28540 .28484 .07821 .00586 .0049 .0036 .0070 .0006 .0024 .0005 |
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O8 .20920 .27008 .43993 .00688 .0034 .0061 .0112 .0025 .0006 .0011 |
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H3 .25760 .12880 .37511 .983 .0263 .0469 .0299 .0081 .0232 .0009 .0005 |
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H1 0 0 .9042 .245 .030 |
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View JMOL 3-D Structure (permalink) |
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