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 = 0.0001 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019506
6.6430 6.6430 9.7660 90 90 120 P-6c2
atom     x     y     z  Uiso
Ba     2/3   1/3     0 .0074
Ti     1/3   2/3     0 .0032
Si   .0705 .7817   .25 .0014
O1    .809  .745   .25 .0024
O2   .0862 .6578 .3877 .0039