Clinopyroxene
Peacor D R
American Mineralogist 52 (1967) 31-41
Refinement of the crystal structure of a pyroxene of formula M1M2(Si1.5Al0.5)O6
_database_code_amcsd 0000153
9.794 8.906 5.319 90 105.90 90 C2/c
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 .0932   .75 .57  .0018  .0010  .0048      0 -.0008      0
Fe1      0 .0932   .75 .22  .0018  .0010  .0048      0 -.0008      0
Al1      0 .0932   .75 .14  .0018  .0010  .0048      0 -.0008      0
Ti1      0 .0932   .75 .07  .0018  .0010  .0048      0 -.0008      0
Ca2      0 .6957   .75 .98  .0024  .0012  .0059      0 -.0004      0
Mn2      0 .6957   .75 .01  .0024  .0012  .0059      0 -.0004      0
Na2      0 .6957   .75 .01  .0024  .0012  .0059      0 -.0004      0
Si   .2129 .4072 .7728 .75  .0005  .0006  .0031  .0000 -.0001  .0000
Al   .2129 .4072 .7728 .25  .0005  .0006  .0031  .0000 -.0001  .0000
O1   .3870 .4122 .8623      .0010  .0010  .0046 -.0004 -.0003  .0005
O2   .1379 .2454 .6811      .0018  .0017  .0081 -.0007 -.0013  .0011
O3   .1482 .4811 .0083      .0008  .0019  .0074 -.0003 -.0004  .0007