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