CaSi2O5
Kudoh Y, Kanzaki M
Physics and Chemistry of Minerals 25 (1998) 429-433
Crystal chemical characteristics of alpha-CaSi2O5, a new high pressure
calcium silicate with five-coordinated silicon synthesized at 1500 C and 10 GPa
_database_code_amcsd 0008150
7.243 7.546 6.501 81.43 84.82 69.60 P-1
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  -.4580 -.3196  .1820  .55  .0036  .0093  .0068 -.0014  .0019 -.0011
Ca2  -.0290 -.2142  .3891  .63  .0053  .0068  .0095  .0004  .0008  .0002
Si1      .5      0     .5  .44   .003   .007   .005 -.0008  .0021  .0004
Si2       0     .5      0  .45   .003   .009   .004 -.0026  .0020  .0013
Si3  -.2474  .2223  .1993  .43  .0028  .0062  .0051 -.0002  .0018  .0017
Si4  -.1983 -.0704 -.1253  .36  .0029  .0063  .0029 -.0009  .0017  .0018
Si5   .3165  .4205  .3414  .42  .0020  .0064  .0045  .0005  .0018  .0025
O1    .0027  .0986  .2844  .56   .006   .008   .005  -.002   .001   .007
O2    .5004  .3669  .1723  .53   .000   .007   .009   .003   .004   .003
O3   -.1567 -.2566  .0508  .46   .004   .007   .006  -.001   .004  -.002
O4    .3012 -.3879  .4295  .84   .010   .013   .009  -.006   .002   .002
O5   -.1882  .4168  .1157  .56   .001   .009   .009   .000   .004   .001
O6   -.2243  .1221 -.0230  .72   .010   .012   .006  -.005   .001   .001
O7   -.1014 -.4593 -.2507  .75   .003   .014   .007   .000  -.001   .002
O8   -.3046  .0665  .3799  .52   .007   .009   .004  -.005   .002   .004
O9    .3487  .2405 -.4750  .48   .005   .007   .005  -.002   .005   .001
O10   .4000  .0161  .2447  .68   .006   .014   .005  -.003   .000   .003