CaSi2O5
Angel R J
American Mineralogist 82 (1997) 836-839
Transformation of fivefold-coordinated silicon to octahedral silicon in calcium
silicate, CaSi2O5
_database_code_amcsd 0001930
6.5430 8.3918 6.3416 90 113.175 90 *A2/a
0 .25 .25
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca     .25 .42059   .25  .0084  .0026  .0078      0  .0011      0
SiVI    .5    .25   .75  .0060  .0025  .0072      0  .0017  .0001
SiIV   .75 .43657   .25  .0060  .0026  .0061  .0061      0  .0014
O1     .75  .3090   .75  .0052  .0029  .0093      0  .0022      0
O2   .9142  .3178 .4477  .0080  .0032  .0079  .0002  .0018 -.0001
O3   .3958  .4500 .6531  .0070  .0029  .0062  .0001  .0012 -.0002