Titanite
Kunz M, Arlt T, Stolz J
American Mineralogist 85 (2000) 1465-1473
In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure
and high temperature
Sample #028 at P = 4.88 GPa, T = 568 K
_database_code_amcsd 0002551
6.9410 8.6539 6.4559 90 113.333 90 A2/a
atom    x    y    z
Ca    .25 .161    0
Ti    1/2    0  1/2
Si    3/4 .193    0
O1    3/4 .049  1/2
O3   .923 .073 .176
O5   .386 .217 .380