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 = 2.14 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019508
6.6031 6.6031 9.710 90 90 120 P-6c2
atom     x     y     z  Uiso
Ba     2/3   1/3     0 .0090
Ti     1/3   2/3     0 .0040
Si   .0698 .7814   .25 .0022
O1    .809  .747   .25  .002
O2   .0867 .6568 .3881 .0047