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: X4P2, P = 4.45 GPa
_database_code_amcsd 0008751
7.0035 12.2462 7.1178 90 120.708 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  .13737 .11000 .07059  .39  .0033 .00064  .0026 -.00024  .0018 -.00019
Si2  .50834 .15720 .54402  .42  .0042 .00079  .0019  .00009  .0021  .00001
O1        0      0      0  .70   .007  .0006  .0059  -.0006  .0037  -.0001
O2       .5  .1098    .75  .53   .005  .0012  .0022       0  .0022       0
O3    .2538 .12928  .9293  .70  .0042  .0015  .0054  -.0003  .0033  -.0001
O4    .3180 .10101  .3254  .73  .0046  .0015  .0032 -.00029  .0011  -.0003
O5    .0259 .21265  .4715  .68  .0054  .0008  .0063  .00009  .0037   .0002