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: X1P0, in cell, P = 0.0001 GPa
_database_code_amcsd 0008747
7.1366 12.3723 7.1749 90 120.330 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  .14051 .10831 .07236  .40 .00290 .00056  .0030 -.00038 .00171 -.00025
Si2  .50679 .15828 .54093 .443 .00332 .00095  .0021 -.00012 .00174 -.00002
O1        0      0      0  .72  .0043  .0012  .0043  -.0009  .0017  -.0008
O2       .5  .1165    .75  .58  .0048  .0007  .0044       0  .0027       0
O3    .2662  .1233  .9411  .73  .0051  .0014  .0050  -.0003  .0034  -.0003
O4    .3110  .1039  .3275  .87  .0065  .0016  .0026  -.0005  .0009 -.00036
O5    .0175  .2124  .4787  .71  .0051  .0004  .0072  -.0002  .0030  -.0002