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 #044 at P = 2.05 GPa, T = 354 K
_database_code_amcsd 0002567
6.9984 8.6846 6.5063 90 113.521 90 P2_1/a
atom    x    y    z
Ca   .255 .917 .759
Ti   .526 .759 .236
Si   .724 .936 .758
O1   .782 .820 .274
O2   .911 .816 .910
O3   .382 .934 .137
O4   .912 .316 .447
O5   .372 .472 .656