Titanite Troitzsch U, Ellis D J American Mineralogist 84 (1999) 1162-1169 The synthesis and crystal structure of CaAlFSiO4, the Al-F analog of titanite _database_code_amcsd 0002273 6.9149 8.5064 6.4384 90 114.684 90 A2/a atom x y z Biso Ca .25 .1637 0 1.50 Al .5 0 .5 1.75 Si .75 .1860 0 1.21 F1 .75 .0709 .5 1.15 O2 .9031 .0667 .1904 0.80 O3 .3887 .2011 .4031 0.79