Titanite Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J European Journal of Mineralogy 11 (1999) 955-965 Crystal structural changes in titanite along the join TiO-AlF Sample: AlF18 _database_code_amcsd 0006800 7.0511 8.6722 6.5325 90 114.026 90 A2/a atom x y z occ Biso Ca .25 .1659 0 1.77 Aloc .5 0 .5 .182 1.64 Tioct .5 0 .5 .818 1.64 Si .75 .1833 0 .93 O1 .75 .0689 .5 .818 .09 F1 .75 .0689 .5 .182 .09 O2 .9096 .0664 .1849 .09 O3 .3853 .2088 .3989 .09