Pseudowollastonite
Yang H, Prewitt C T
American Mineralogist 84 (1999) 1902-1905
Crystal structure and compressibility of a two-layer polytype
of pseudowollastonite (CaSiO3)
_database_code_amcsd 0002334
11.8322 6.8624 10.5297 90 111.245 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)
Ca1  .0870 .2403 .4989  .0011  .0035  .0007  .0003  .0001  .0001
Ca2    .25   .25     0  .0010  .0058  .0009  .0008  .0003 -.0004
Si1  .1278 .4530 .2445  .0007  .0032  .0005  .0002  .0002  .0001
Si2      0 .8400   .25  .0010  .0023  .0006      0  .0001      0
O1   .1275 .4045 .0965  .0018  .0063  .0009  .0006  .0006 -.0001
O2   .2290 .3991 .3863  .0014  .0080  .0014  .0013  .0001  .0003
O3   .1109 .6929 .2478  .0014  .0033  .0021  .0001  .0011 -.0001
O4   .0497 .9436 .3939  .0023  .0050  .0010 -.0002  .0004 -.0010
O5       0 .3592   .25  .0013  .0041  .0020      0  .0009      0