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: AlF09
_database_code_amcsd 0006799
7.0541 8.6925 6.5445 90 113.903 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1666     0      1.94
Aloct    .5     0    .5 .099 1.98
Tioct    .5     0    .5 .901 1.98
Si      .75 .1846     0      1.62
O1      .75 .0666    .5 .901  .65
F1      .75 .0666    .5 .099  .65
O2    .9070 .0670 .1832       .65
O3    .3842 .2086 .4001       .65