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Benitoite |
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Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
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American Mineralogist 97 (2012) 1749-1763 |
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Second-order P6c2-P31c transition and structural crystallography of |
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the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
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Note: P = 6.14 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019514 |
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11.2984 11.2984 9.6051 90 90 120 P31c |
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atom x y z Uiso |
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Ba1 0 0 0 .0081 |
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Ba2 2/3 1/3 .0460 .0147 |
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Ba3 1/3 2/3 .0463 .0141 |
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Ti .3326 .9989 .0321 .0068 |
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Si1 .7166 .8800 .2702 .0075 |
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Si2 .1718 .7883 .7845 .0065 |
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Si3 .4969 .9508 .2862 .0084 |
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O11 .0429 .8151 .7919 .004 |
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O12 .6209 .1054 .2773 .019 |
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O13 .5595 .8484 .2663 .013 |
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O21 .7628 .8439 .1293 .017 |
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O22 .4084 .1562 .1436 .006 |
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O23 .3931 .9088 .1585 .009 |
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O21m .8165 .7464 .9035 .009 |
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O22m .2662 .8369 .9189 .012 |
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O23m .5044 .0890 .9331 .008 |
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