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 #033 at P = 4.36 GPa, T = 301 K _database_code_amcsd 0002556 6.9414 8.6521 6.4553 90 113.357 90 A2/a atom x y z Ca .25 .162 0 Ti 1/2 0 1/2 Si 3/4 .196 0 O1 3/4 .045 1/2 O3 .923 .076 .174 O5 .393 .221 .383