American Mineralogist Crystal Structure Database

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Titanite
Download hom/titanite.pdf
Kunz M, Xirouchakis D, Lindsley D H, Hausermann D
Download am/vol81/AM81_1527.pdf
American Mineralogist 81 (1996) 1527-1530
High-pressure phase transition in titanite (CaTiOSiO4)
Sample: at 6.95 GPa
Note: this is a not titanite but instead is a high-pressure polymorph of Ca,
transfomred by pressure acting on titanite
_database_code_amcsd 0001850
6.8912 8.6234 6.4065 90 113.057 90 A2/a
atom    x     y    z Uiso
Ca    .25 .1666    0 .019
Ti     .5     0   .5 .016
Si    .75  .188    0 .014
O1    .75  .061   .5 .011
O2   .922 .0712 .179 .011
O3   .392  .216 .391 .011
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