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Vesuvianite |
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Fitzgerald S, Leavens P B, Rheingold A L, Nelen J A |
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American Mineralogist 72 (1987) 625-628 |
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Crystal structure of a REE-bearing vesuvianite from San Benito County, |
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California |
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_database_code_amcsd 0001092 |
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15.799 15.799 11.917 90 90 90 *P4/n |
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.25 -.25 0 |
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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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Si1a -.25 .25 .5 .008 .008 .008 .004 0 0 0 |
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Si1b -.25 .25 0 .010 .008 .008 .015 0 0 0 |
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Si2a -.0404 .3187 .1279 .010 .014 .009 .008 .000 .001 -.001 |
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Si2b -.0408 .1812 .3726 .012 .011 .011 .015 -.000 -.002 -.001 |
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Si3a .0848 .1507 .6375 .010 .012 .008 .011 -.000 -.001 .000 |
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Si3b .0851 .3489 -.1371 .010 .011 .010 .008 .000 -.000 -.002 |
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Ca1a -.25 .25 .2496 .014 .021 .013 .010 0 0 -.000 |
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Ca2a .1893 -.0477 .6219 .012 .011 .013 .014 -.000 -.001 .000 |
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Ca2b -.0474 .1893 -.1220 .013 .014 .011 .013 .001 -.000 .002 |
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Ca3a .1784 .3985 .1094 .64 .014 |
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Ce3a .1784 .3985 .1094 .42 .012 .009 .012 .016 .003 .000 .005 |
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Ca3b .3219 .3988 -.6087 .31 .014 |
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Ce3b .3219 .3988 -.6087 .51 .013 .010 .014 .016 -.002 -.000 .005 |
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Cac1 .25 .25 -.3530 .033 .038 .038 .021 0 0 0 |
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Cac2 .25 .25 -.1453 .015 .015 .015 .017 0 0 0 |
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Mg1a .0002 -.1108 .1197 .5 .014 |
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Fe1a .0002 -.1108 .1197 .5 .005 .009 .002 .003 -.002 .002 .002 |
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Mg1b -.1204 .1114 .6266 .5 .014 |
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Fe1b -.1204 .1114 .6266 .5 .007 .008 .007 .008 -.003 -.001 -.005 |
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Ala1 0 0 .5 .018 .019 .017 .019 -.001 -.001 -.000 |
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Ala2 0 .5 0 .023 .018 .018 .032 -.000 .004 -.001 |
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Feb1 .25 .25 -.0511 .019 .012 .012 .033 0 0 0 |
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Feb2 .25 .25 -.4574 .022 .018 .018 .030 0 0 0 |
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O1a -.2245 .1739 .0852 .012 .016 .010 .009 .004 -.001 -.003 |
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O1b -.2786 .1731 .4143 .015 .021 .009 .014 .005 .002 -.000 |
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O2a -.1171 .1626 .2821 .014 .018 .008 .017 -.000 -.004 .002 |
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O2b -.1169 .3372 .2183 .014 .012 .013 .016 -.002 .001 -.003 |
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O3a -.0448 .2244 .0710 .013 .013 .011 .015 -.007 -.001 .004 |
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O3b -.0469 .2767 .4264 .012 .012 .012 .012 .002 .003 .003 |
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O4a -.0594 .1045 .4690 .012 .013 .014 .008 .000 -.002 .004 |
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O4b -.0592 .3925 .033 .012 .017 .008 .011 .003 -.002 .001 |
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O5a -.0087 .3272 -.1805 .014 .011 .018 .013 -.006 -.001 -.006 |
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O5b -.0103 .1723 .6797 .014 .016 .013 .014 -.001 -.004 .002 |
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O6a .1209 .2755 -.0584 .020 .025 .019 .017 .010 .000 .003 |
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O6b .1225 .2224 .5534 .017 .015 .022 .015 -.007 -.003 .002 |
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O7a .0554 .1757 .3227 .016 .010 .015 .022 -.002 -.001 .001 |
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O7b .0573 .3242 .1777 .015 .016 .016 .013 -.002 -.003 -.001 |
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O8a .0937 .4390 -.0733 .014 .014 .017 .012 .000 .006 .001 |
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O8b .0953 .0594 .5730 .013 .018 .004 .016 -.004 .002 .001 |
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O9a .1474 .1475 .7500 .014 .016 .013 .012 -.002 -.000 -.002 |
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OH10a .25 .25 .1397 .037 .027 .027 .057 0 0 0 |
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OH10b -.25 -.25 -.3603 .036 .022 .022 .062 0 0 0 |
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O11a -.0019 .0630 .1366 .016 .015 .015 .020 .002 -.002 -.003 |
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O11b -.0625 .0011 .6352 .015 .013 .018 .013 .002 -.000 .002 |
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