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 #002 at P = 0.87 GPa, T = 609 K _database_code_amcsd 0002525 7.0512 8.7141 6.5521 90 113.735 90 P2_1/a atom x y z Ca .244 .924 .744 Ti .503 .747 .241 Si .738 .923 .756 O1 .871 .780 .251 O2 .926 .816 .932 O3 .378 .955 .142 O4 .930 .310 .433 O5 .389 .466 .682