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: X1P8, P = 2.248 GPa
_database_code_amcsd 0008748
7.0666 12.3049 7.1462 90 120.54 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  .13863 .10913 .07124  .48 .00331 .00095  .0025 -.00043 .00152 -.00029
Si2  .50784 .15750 .54297  .48 .00358 .00098  .0026  .00004 .00182 -.00002
O1        0      0      0  .81  .0058  .0005  .0063  -.0014  .0016  -.0009
O2       .5  .1128    .75  .69  .0053  .0011  .0038       0  .0022       0
O3    .2599  .1266  .9349  .71  .0048  .0009  .0063  -.0007  .0032  -.0005
O4    .3142  .1023  .3265  .78  .0059  .0011  .0036  -.0005  .0011  -.0010
O5    .0226  .2117  .4749  .70  .0053  .0004  .0070   .0000  .0030   .0002