Coesite
Angel R J, Shaw C S J, Gibbs G V
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X4P1, P = 8.68 GPa
_database_code_amcsd 0008756
6.8886 12.1377 7.0625 90 120.962 90 C2/c
atom     x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .1347 .11137 .06850  .37  .0035 .00054  .0026 -.00010  .0019 -.00012
Si2  .5092 .15646 .54632  .42  .0046 .00065  .0025 -.00006  .0024 -.00005
O1       0      0      0  .87   .013  .0000  .0062  -.0001  .0057   .0002
O2      .5  .1047    .75  .66   .010  .0007  .0040       0  .0054       0
O3   .2450  .1333  .9198  .64  .0037  .0017  .0037  -.0001  .0026  -.0002
O4   .3228 .09946  .3239  .75  .0066  .0011  .0046  -.0004  .0028  -.0005
O5   .0332 .21241  .4689  .63  .0057  .0006  .0066   .0001  .0044   .0001