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: AlF37
_database_code_amcsd 0006802
7.0368 8.6360 6.5135 90 114.232 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1651     0      1.28
Aloct    .5     0    .5 .372 1.59
Tioct    .5     0    .5 .628 1.59
Si      .75 .1837     0       .83
O1      .75 .0698    .5 .628  .38
F1      .75 .0698    .5 .372  .38
O2    .9030 .0654 .1850       .38
O3    .3796 .2083 .3948       .38