Na1.8Ca1.1Si6O14
Gasparik T, Parise J B, Eiben B A, Hriljac J A
American Mineralogist 80 (1995) 1269-1276
Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14
Sample: data collected on an image plate
Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.
_database_code_amcsd 0001762
7.903 7.903 4.595 90 90 120 P321
atom      x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1     2/3    1/3 .4901      .0039  .0039  .0048 .00195      0      0
Si2  .74762 .74762    .5      .0031  .0031  .0032  .0013 -.0002  .0002
Si3       0      0     0      .0034  .0034  .0027  .0017      0      0
Na   .41495 .41495     0  .6  .0083  .0083  .0088  .0028  .0005 -.0005
Ca   .41495 .41495     0 .37  .0083  .0083  .0088  .0028  .0005 -.0005
O1    .7018  .5393 .3504      .0164  .0049  .0077  .0054 -.0034 -.0007
O2      2/3    1/3 .8295      .0194  .0194  .0053  .0097      0      0
O3    .8961  .7899 .7679      .0053  .0049  .0047  .0023 -.0017 -.0011