Titanite
Hollabaugh C L, Foit F F
American Mineralogist 69 (1984) 725-732
The crystal structure of an Al-rich titanite from Grisons, Switzerland
_database_code_amcsd 0000944
7.050 8.681 6.539 90 113.9 90 P2_1
atom     x     y     z Biso
Ca1  .5001 .9179 .7498  .55
Ca2  .0253 .0835 .2442  .48
Ti1  .7662 .7559 .2486  .42
Ti2  .7356 .2491 .7506  .35
Si1  .9971 .9305 .7583  .75
Si2  .4912 .0653 .2462 -.01
O1a  .9889 .8162 .2459  .40
O1b  .5011 .1736 .7686  .31
O2a  .1671 .8214 .9456  .93
O2b  .3261 .1799 .0682  .18
O3a  .6327 .9608 .1389 -.06
O3b  .8748 .0421 .8595 1.13
O4a  .1547 .3046 .4304  .36
O4b  .3534 .6808 .5626  .14
O5a  .6278 .4544 .6533  .93
O5b  .8612 .5339 .3432  .16