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Vesuvianite |
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Armbruster T, Gnos E |
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American Mineralogist 85 (2000) 570-577 |
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Tetrahedral vacancies and cation ordering in low-temperature Mn-bearing |
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vesuvianites: Indication of a hydrogarnet-like substitution |
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Sample: NC14-2 |
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_database_code_amcsd 0002421 |
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15.571 15.571 11.789 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Biso |
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Si1a -.25 .25 0 .91 .55 |
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Si1b -.25 .25 .5 .83 .55 |
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Si2a -.0407 .3184 .1305 .908 .55 |
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Si2b -.0418 .1804 .3720 .992 .55 |
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Si3a .0875 .3483 -.1352 .55 |
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Si3b .0805 .1507 .6350 .55 |
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Al1a 0 0 0 .78 .51 |
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Mn1a 0 0 0 .22 .51 |
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Al1b -.5 0 .5 .92 .45 |
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Mn1b -.5 0 .5 .08 .45 |
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Al2a -.1111 .1177 .1249 .65 .54 |
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Mn2a -.1111 .1177 .1249 .35 .54 |
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Al2b -.3889 .1204 .3739 .87 .53 |
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Mn2b -.3889 .1204 .3739 .13 .53 |
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Ca1 -.25 .25 .2513 .68 |
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Ca2a -.0446 .1882 -.1202 .74 |
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Ca2b .1892 -.0419 .6219 .69 |
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Ca3a .0975 .1778 .1176 1.33 |
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Ca3b -.3984 -.1809 -.3906 1.13 |
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O1a -.2199 .1721 .0873 .63 |
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O1b -.2825 .1712 .4140 .96 |
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O2a -.1179 .3378 .2243 .65 |
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O2b -.1178 .1571 .2808 .90 |
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O3a -.0489 .2210 .0756 .90 |
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O3b -.0499 .2772 .4252 .58 |
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O4a -.0624 .3925 .0314 .89 |
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O4b -.0641 .1061 .4714 .84 |
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O5a -.0102 .3268 -.1760 .90 |
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O5b -.0167 .1685 .6800 1.04 |
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O6a .1231 .2712 -.0574 1.2 |
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O6b .1159 .2293 .5602 1.15 |
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O7a .0556 .3256 .1821 1.12 |
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O7b .0552 .1734 .3258 1.1 |
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O8a .0929 .4378 -.0655 .65 |
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O8b .0904 .0608 .5674 .85 |
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O9 .1489 .3582 -.2504 .82 |
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O10a .25 .25 .1332 1.9 |
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O10b -.25 -.25 -.3558 1.9 |
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O11a -.0059 .0607 .1367 .72 |
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O11b -.4943 .0634 .3635 .80 |
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CaX'4b .25 .25 -.1469 .253 .7 |
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MnY'3a .25 .25 .5470 .253 2.2 |
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CaX'4a .25 .25 .6470 .747 1.01 |
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MnY'3a .25 .25 -.0441 .747 1.17 |
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O12a .143 .292 .214 .06 .79 |
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O12b .161 .227 .293 .04 .79 |
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BT2 -.253 -.222 -.228 .12 .79 |
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