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Na.58Ag.18Mg2.12Al6.98B3Si5.90O27.53OH3F.47 |
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London D, Ertl A, Hughes J M, Morgan VI G B, Fritz E A, Harms B S |
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American Mineralogist 91 (2006) 680-684 |
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Synthetic Ag-rich tourmaline: Structure and chemistry |
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Note: Y(B) adjusted to satisfy symmetry constraint |
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_database_code_amcsd 0004143 |
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15.8995 15.8995 7.1577 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .75 .58 .0186 |
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AgX 0 0 .75 .18 .0186 |
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AlY .87520 .93760 .3440 .513 .0109 |
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MgY .87520 .93760 .3440 .487 .0109 |
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AlZ .70238 .73859 .3647 .89 .0063 |
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MgZ .70238 .73859 .3647 .11 .0063 |
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Si .80832 .81032 .9752 .983 .00571 |
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Al .80832 .81032 .9752 .017 .00571 |
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B .8903 .7806 .5220 .0083 |
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OH1W 0 0 .2057 .53 .0114 |
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F1W 0 0 .2057 .47 .0114 |
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O2 .93904 .8781 .4877 .0123 |
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O3V .7365 .86825 .4655 .0115 |
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O4 .90628 .8126 .9039 .0115 |
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O5 .8145 .90727 .8815 .0112 |
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O6 .80489 .81525 .2000 .0092 |
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O7 .71404 .71441 .8975 .0086 |
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O8 .78999 .72960 .5356 .0098 |
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H3 .743 .871 .563 .008 |
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