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 #027 at P = 4.93 GPa, T = 609 K
_database_code_amcsd 0002550
6.9413 8.6549 6.4570 90 113.317 90 A2/a
atom    x    y    z
Ca    .25 .164    0
Ti    1/2    0  1/2
Si    3/4 .194    0
O1    3/4 .051  1/2
O3   .923 .074 .178
O5   .397 .221 .386