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: D167
Note: y-coord of Ca altered to reproduce published bond lengths
Locality: Liset, Norway
_database_code_amcsd 0006426
7.049 8.653 6.527 90 114.12 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1667     0 .996 1.16
Tioct    .5     0    .5 .714 1.01
Aloct    .5     0    .5 .282 1.01
Feoct    .5     0    .5 .011 1.01
Si      .75 .1836     0 .992  .36
O1      .75 .0710    .5       .57
O2    .9098 .0666 .1877       .61
O3    .3825 .2094 .3980       .54