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 #013 at P = 3.25 GPa, T = 538 K _database_code_amcsd 0002536 6.9754 8.6723 6.4885 90 113.443 90 A2/a atom x y z Ca .25 .164 0 Ti 1/2 0 1/2 Si 3/4 .196 0 O1 3/4 .063 1/2 O3 .919 .072 .176 O5 .405 .225 .396