CaSiO3
Trojer F J
Zeitschrift fur Kristallographie 130 (1969) 185-206
The crystal structure of a high pressure polymorph of CaSiO3
Note: high-pressure polymorph of wollastonite synthesized at 6.5 GPa, 1300 C
Locality: synthetic
_database_code_amcsd 0010698
6.695 9.257 6.666 86.50 76.133 70.383 P-1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .7441 .0002 .7623 1.16  .0059  .0062  .0029 -.0024 -.0008  .0005
Ca2  .8789 .3513 .5846 1.25  .0047  .0065  .0048 -.0016 -.0007  .0000
Ca3  .2443 .3356 .9245 1.08  .0048  .0064  .0023 -.0019 -.0014 -.0002
Si1  .3684 .2951 .3916  .94  .0023  .0060  .0023 -.0010 -.0003 -.0008
Si2  .7583 .0162 .2701  .95  .0048  .0051  .0024 -.0016 -.0011 -.0006
Si3  .7218 .3009 .0416 1.07  .0050  .0063  .0019 -.0018 -.0006 -.0004
O1   .2150 .2564 .2656 1.55  .0038  .0110  .0038 -.0035 -.0030  .0013
O2   .2140 .4055 .5843  .87  .0018  .0044  .0040      0 -.0001 -.0009
O3   .5556 .1359 .4518 1.11  .0106  .0067  .0039 -.0057 -.0024  .0004
O4   .3391 .0612 .8715 1.58  .0062  .0096  .0053 -.0045 -.0047  .0009
O5   .0629 .0932 .6140 1.51  .0067  .0073  .0067 -.0026  .0033  .0004
O6   .8661 .1386 .1353 1.55  .0059  .0074  .0094 -.0036 -.0037  .0005
O7   .6282 .2629 .8591 1.52  .0055  .0100  .0034 -.0039 -.0024 -.0005
O8   .8650 .4031 .9540 1.19  .0057  .0048  .0034 -.0019 -.0021      0
O9   .5154 .3853 .2426 1.20  .0038  .0078  .0022 -.0021  .0004  .0002