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: AlF29
_database_code_amcsd 0006801
7.0462 8.6529 6.5231 90 114.143 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1652     0      1.85
Aloct    .5     0    .5 .291 1.75
Tioct    .5     0    .5 .709 1.75
Si      .75 .1834     0      1.59
O1      .75 .0674    .5 .709  .49
F1      .75 .0674    .5 .291  .49
O2    .9071 .0669 .1852       .49
O3    .3821 .2103 .3993       .49