Enstatite
Nestola F, Gatta G D, Ballaran T B
American Mineralogist 91 (2006) 809-815
The effect of Ca substitution on the elastic and
structural behavior of orthoenstatite
Locality: synthetic sample
Sample: P = 6.25 GPa
_database_code_amcsd 0004157
18.022 8.6578 5.085 90 90 90 Pbca
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .3779 .4811 .3530 .93  .012   .009   .012   .014   .001   .003  -.005
CaM2 .3779 .4811 .3530 .07  .012   .009   .012   .014   .001   .003  -.005
MgM1 .3762 .6566 .8576      .007   .008   .006   .006  -.001  -.003   .005
SiA  .2705 .3437 .0376     .0051
SiB  .4736 .3382 .8042     .0064
O1A  .1821 .3407 .0237      .007
O2A  .3092 .5057 .0355      .003
O3A  .3035 .2218 .8147      .008
O1B  .5628 .3395 .8134      .010
O2B  .4332 .4847 .6861      .006
O3B  .4458 .1917 .6085      .013