Pseudowollastonite
Yang H, Prewitt C T
American Mineralogist 84 (1999) 929-932
On the crystal structure of pseudowollastonite (CaSiO3)
_database_code_amcsd 0002247
6.8394 11.8704 19.6313 90 90.667 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       0      0      0 .00491 .00123 .00032  .00100  .00020  .00010
Ca2       0 .34259    .25 .00437 .00093 .00030       0  .00025       0
Ca3       0 .32910    .75 .00253 .00202 .00030       0 -.00001       0
Ca4       0 .00462    .75 .00378 .00095 .00027       0  .00008       0
Ca5  .01127 .33571 .00047 .00310 .00123 .00028 -.00033  .00011 -.00005
Si1  .29298 .03898 .37507 .00260 .00076 .00018  .00019  .00007 -.00001
Si2  .09283 .17035 .12790 .00195 .00098 .00019 -.00001  .00007  .00001
Si3  .29798 .29716 .37784 .00260 .00077 .00019 -.00021  .00006 -.00001
O1   .34734 .34508 .45190 .00547 .00152 .00030 -.00061 -.00010 -.00015
O2   .15484 .48810 .19713 .00613 .00161 .00031 -.00066  .00022  .00020
O3   .19052 .17222 .20205 .00397 .00206 .00030  .00021 -.00026 -.00004
O4   .05651 .28096 .37492 .00277 .00100 .00063  .00004 -.00004 -.00005
O5   .20071 .17028 .05692 .00430 .00254 .00037  .00016  .00053  .00008
O6   .05217 .05793 .37380 .00285 .00098 .00066  .00002  .00000  .00002
O7   .35429 .35084 .30682 .00697 .00159 .00037 -.00083  .00036  .00021
O8   .15804 .48546 .05278 .00593 .00164 .00032 -.00067 -.00004 -.00023
O9   .38933 .16744 .37627 .00291 .00099 .00066 -.00002  .00007 -.00003