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 #032 at P = 4.45 GPa, T = 338 K _database_code_amcsd 0002555 6.9399 8.6524 6.4547 90 113.352 90 A2/a atom x y z Ca .25 .161 0 Ti 1/2 0 1/2 Si 3/4 .198 0 O1 3/4 .047 1/2 O3 .922 .077 .172 O5 .392 .219 .381