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: AlF49
_database_code_amcsd 0006803
7.0229 8.6130 6.5023 90 114.344 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1639     0      1.64
Aloct    .5     0    .5 .489 1.52
Tioct    .5     0    .5 .511 1.52
Si      .75 .1848     0      1.19
O1      .75 .0674    .5 .511  .50
F1      .75 .0674    .5 .489  .50
O2    .9052 .0673 .1885       .50
O3    .3838 .2057 .4017       .50