Pyroxene
Smyth J R, Ito J
American Mineralogist 62 (1977) 1252-1257
The synthesis and crystal structure of a magnesium-lithium-scandium
protopyroxene
_database_code_amcsd 0000608
9.251 8.773 5.377 90 90 90 Pbcn
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .0994   .75  .7  .0015  .0022  .0037      0 -.0004      0
Sc1      0 .0994   .75  .3  .0015  .0022  .0037      0 -.0004      0
Mg2      0 .2639   .25  .7  .0027  .0041  .0053      0 -.0005      0
Li2      0 .2639   .25  .3  .0027  .0041  .0053      0 -.0005      0
Si   .2935 .0900 .0740      .0011  .0022  .0028 -.0002  .0001 -.0001
O1   .1199 .0908 .0805      .0014  .0016  .0035 -.0002 -.0001  .0000
O2   .3736 .2504 .0710      .0025  .0033  .0042 -.0009  .0003  .0000
O3   .3493 .9831 .3045      .0013  .0032  .0065  .0002 -.0004  .0018