Coesite
Levien L, Prewitt C T
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 1 atm anisotropic refinement
_database_code_amcsd 0000817
7.1356 12.3692 7.1736 90 120.34 90 C2/c
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .14035 .10833 .07230 .00300 .00065  .0028 -.00028 .00152 -.00019
Si2  .50674 .15796 .54072 .00329 .00074  .0024 -.00011 .00160 -.00008
O1        0      0      0  .0050 .00064  .0056 -.00060 .00220 -.00030
O2       .5 .11634    .75  .0066 .00121  .0035       0 .00340       0
O3    .2661 .12324  .9401  .0050 .00160  .0055 -.00048 .00370 -.00024
O4    .3114 .10378  .3280  .0060 .00152  .0031 -.00063 .00110 -.00046
O5    .0175 .21177  .4784  .0053 .00077  .0068 -.00001 .00330  .00015