Titanite
Oberti R, Smith D C, Rossi G, Caucia F
European Journal of Mineralogy 3 (1991) 777-792
The crystal-chemistry of high-aluminium titanites
Sample: HEL697
Locality: Sierra de los Filabres, Spain
_database_code_amcsd 0006429
7.038 8.635 6.514 90 114.24 90 A2/a
atom     x     y     z  occ Biso
Ca     .25 .1665     0      1.15
Si     .75 .1840     0 .988  .41
Tioct   .5     0    .5 .636 1.00
Aloct   .5     0    .5 .363 1.00
Feoct   .5     0    .5 .013 1.00
O1     .75 .0709    .5       .66
O2   .9095 .0665 .1888       .66
O3   .3831 .2086 .3981       .59