American Mineralogist Crystal Structure Database

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Fassaite
 
Dowty E, Clark J R
Download am/vol58/AM58_230.pdf
American Mineralogist 58 (1973) 230-242
Crystal structure refinement and optical properties of a Ti3+ fassaite from the
Allende Meteorite
_database_code_amcsd 0000310
9.80 8.85 5.36 90 105.62 90 C2/c
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al   .2882 .0934  .2260 .365 .00126 .00136  .0048 .00003  .0010 -.0002
Si   .2882 .0934  .2260 .635 .00126 .00136  .0048  .0000  .0010 -.0002
O1   .1119 .0872  .1352       .0022  .0023  .0047  .0001  .0016 -.0002
O2   .3634 .2569  .3214       .0032  .0025  .0063  .0003  .0016  .0002
O3   .3524 .0198 -.0105       .0016  .0025  .0062  .0003  .0009 -.0007
Mg1      0 .9067    .25  .39 .00160  .0020  .0063      0  .0008      0
Ti1      0 .9067    .25  .48 .00160  .0020  .0063      0  .0008      0
Al1      0 .9067    .25  .13 .00160  .0020  .0063      0  .0008      0
Ca2      0 .3078    .25      .00263 .00204  .0061      0  .0005      0
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