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
Fs75Wo25
_database_code_amcsd 0000458
9.781 9.072 5.246 90 106.6 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)
Fe1      0 .9047    .25      .80  .0018  .0019  .0103 -.0001  .0019      0
Fe2      0 .2747    .25  .5 1.85  .0019  .0024  .0091      0  .0012      0
Ca       0 .2747    .25  .5 1.85  .0026  .0100  .0105      0 -.0007      0
Si   .2936 .0898 .24340      .75  .0026  .0100  .0105      0 -.0007      0
O1   .1207 .0893 .15170      .82  .0020  .0023  .0113  .0001  .0024 -.0025
O2   .3706 .2426 .34960     1.75  .0036  .0024  .0355 -.0006  .0070 -.0012
O3   .3520 .0255 -.0043     1.26  .0021  .0058  .0111  .0007  .0013 -.0029