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 = 3.56 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019509
6.5689 6.5689 9.6804 90 90 120 P-6c2
atom     x     y     z  Uiso
Ba     2/3   1/3     0 .0087
Ti     1/3   2/3     0 .0024
Si   .0687 .7803   .25 .0015
O1    .808  .743   .25  .002
O2   .0851 .6533 .3874 .0031