Hedenbergite
Ohashi Y, Burnham C W, Finger L W
American Mineralogist 60 (1975) 423-434
The effect of Ca-Fe substitution on the clinopyroxene crystal structure
Fs65Wo35
_database_code_amcsd 0000457
9.812 9.049 5.233 90 105.3 90 C2/c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .2901 .0910 .23700      .41  .0014  .0012  .0038 -.0002  .0011 -.0005
Fe       0 .9064    .25      .44  .0017  .0010  .0038      0  .0008      0
Fe1      0 .2908    .25  .3 1.31  .0025  .0074  .0050      0  .0001      0
Ca1      0 .2908    .25  .7 1.31  .0025  .0074  .0050      0  .0001      0
O1   .1207 .0895 .15260      .63  .0021  .0018  .0056  .0003  .0011  .0002
O2   .3658 .2448 .33170     1.10  .0039  .0023  .0134 -.0013  .0039 -.0022
O3   .3505 .0222 -.0055      .70  .0018  .0030  .0049      0  .0008 -.0014