Wollastonite-2M
Hesse K-F
Zeitschrift fur Kristallographie 168 (1984) 93-98
Refinement of the crystal structure of wollastonite-2M (parawollastonite)
_database_code_amcsd 0010870
15.409 7.322 7.063 90 95.30 90 P2_1/a
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .2483 .3754 .9726  .0068  .0069  .0071 -.0001  .0010 -.0002
Ca2  .4006 .6236 .7389  .0078  .0075  .0076 -.0010  .0013 -.0012
Ca3  .3986 .1179 .7360  .0086  .0054  .0073  .0009  .0012  .0007
Si1  .4076 .0920 .2311  .0058  .0055  .0058  .0002  .0003 -.0006
Si2  .4075 .6585 .2310  .0057  .0065  .0058  .0000 -.0001  .0005
Si3  .3015 .3760 .4436  .0061  .0066  .0046  .0003  .0001  .0001
O1   .2991 .3722 .6706  .0091  .0101  .0045  .0021  .0009 -.0019
O2   .2141 .3737 .3010  .0074  .0114  .0075  .0031 -.0012 -.0031
O3   .3493 .1346 .0354  .0082  .0149  .0065  .0020 -.0006  .0009
O4   .3479 .6121 .0361  .0083  .0078  .0065  -.001 -.0009  .0002
O5   .5096 .1187 .2369  .0059  .0077  .0176 -.0013  .0004  .0019
O6   .5088 .6134 .2332  .0063  .0044  .0176 -.0010  .0001  .0016
O7   .3641 .1969 .4060  .0107  .0095  .0076  .0029  .0015 -.0018
O8   .3640 .5553 .4075  .0124  .0097  .0074 -.0036  .0003  .0021
O9   .3908 .8753 .2753  .0158  .0063  .0143  .0002  .0031 -.0006