Pseudowollastonite-4A
Yamanaka T, Mori H
Acta Crystallographica B37 (1981) 1010-1017
The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite)
_database_code_amcsd 0009742
6.853 11.895 19.674 90.12 90.55 90.00 C-1
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1     .5    .5     0  .0068 .00142 .00046  .00048  .00012  .00016
Ca2  .5115 .8357 .0004 .00479 .00133 .00035  -.0005 -.00013 -.00006
Ca3  .5002 .4964 .2501 .00446 .00145 .00036 -.00021  .00001  .00000
Ca4  .5004 .8436 .2500 .00548 .00071 .00037  .00009  .00023 -.00007
Ca5  .0006 .6722 .2500 .00344 .00187 .00037  .00012  -.0001  .00002
Ca6     .5    .5    .5 .00509 .00161 .00035 -.00097  .00015 -.00011
Ca7  .4886 .8357 .4995 .00359 .00139 .00026  .00074   .0001 -.00002
Si1  .2066 .5387 .1249 .00279   .001 .00022 -.00027 -.00015  .00002
Si2  .2021 .7975 .1222 .00356 .00106 .00032  .00017 -.00002 -.00007
Si3  .5926 .6702 .1278 .00282 .00118 .00017  -.0001  .00008 -.00003
Si4  .4068 .6701 .3720 .00375 .00071 .00023  .00047 -.00011  .00012
Si5  .7933 .5387 .3749 .00357 .00081 .00036 -.00042 -.00002 -.00015
Si6  .7983 .7972 .3778 .00295 .00104 .00033  .00025 -.00002 -.00003
O1   .1584 .4853 .0523 .00512 .00218 .00047 -.00069  .00026  .00045
O2   .1533 .8448 .0479 .00541 .00191 .00033 -.00031 -.00057  .00002
O3   .7001 .6704 .0562 .00495 .00115 .00008  .00033 -.00008  .00002
O4   .1554 .4869 .1968 .00635 .00211 .00046  .00121 -.00004  .00016
O5   .1451 .8505 .1927 .00704 .00091 .00034 -.00056  .00038 -.00001
O6   .6907 .6712 .2016 .01165 .00207 .00021  .00096  .00072  -.0005
O7   .3094 .6712 .2981  .0066 .00258 .00022    .001   .0005 -.00052
O8   .8435 .4873 .3030 .00839 .00182 .00049  .00068  .00023  .00007
O9   .8544 .8494 .3067 .00697 .00161 .00056 -.00078  .00011 -.00014
O10  .3002 .6708 .4420 .00449 .00262 .00011 -.00151 -.00028 -.00007
O11  .8426 .4855 .4460  .0047 .00098 .00037  .00063 -.00021 -.00025
O12  .8478 .8458 .4512 .00533 .00236 .00046 -.00012 -.00034  .00051
O13  .1117 .6669 .1235 .00391 .00046 .00064 -.00031  .00026 -.00011
O14  .4480 .5584 .1261 .00306 .00116 .00067 -.00041 -.00004  .00002
O15  .4428 .7797 .1254 .00501 .00091 .00052 -.00003 -.00064 -.00025
O16  .5538 .5580 .3741 .00269 .00094 .00086   .0001 -.00011 -.00001
O17  .5566 .7804 .3748 .00225 .00099 .00068  .00035  .00002 -.00006
O18  .8898 .6676 .3757  .0039  .0015 .00064  .00008  .00007 -.00018