American Mineralogist Crystal Structure Database

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Titanite
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Liferovich R P, Mitchell R H
Physics and Chemistry of Minerals 32 (2005) 40-51
Crystal chemistry of titanite-structured compounds:
the CaTi1-xZrxOSiO4 (x <= 0.5) series
Sample: x=0.5
_database_code_amcsd 0008937
7.1824 8.8281 6.6337 90 113.369 90 A2/a
atom     x     y     z occ Biso
CaX    .25 .1680     0     1.72
TiY     .5     0    .5 .51  .86
ZrY     .5     0    .5 .49  .86
Si     .75 .1786     0      .50
O1     .75 .0772    .5      .63
O2   .9071 .0664 .1730      .63
O3   .3700 .2214 .3914      .63
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