Enstatite
Yang H, Ghose S
American Mineralogist 80 (1995) 9-20
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich
orthopyroxene, (Mg0.75Fe0.25)2Si2O6
T = 1000 K
_database_code_amcsd 0001694
18.3878 8.9577 5.2441 90 90 90 Pbca
atom     x     y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3751 .6521  .8803 .916  .0012  .0047  .0111  .0000 -.0005  .0000
Fe1  .3751 .6521  .8803 .084  .0012  .0047  .0111  .0000 -.0005  .0000
Mg2  .3769 .4854  .3754 .586  .0018  .0066  .0162 -.0004 -.0017  .0006
Fe2  .3769 .4854  .3754 .414  .0018  .0066  .0162 -.0004 -.0017  .0006
SiA  .2719 .3400  .0592       .0008  .0037  .0097 -.0002  .0000 -.0004
SiB  .4747 .3371  .7887       .0008  .0038  .0096  .0002 -.0003  .0002
O1A  .1844 .3389  .0502       .0008  .0061  .0133 -.0003  .0002  .0004
O1B  .5627 .3403  .7898       .0008  .0061  .0151 -.0003 -.0007  .0007
O2A  .3112 .4985  .0624       .0015  .0050  .0172 -.0007 -.0005  .0004
O2B  .4338 .4845  .6996       .0017  .0047  .0142  .0011 -.0007  .0008
O3A  .3023 .2308 -.1688       .0011  .0080  .0124  .0002 -.0003 -.0039
O3B  .4483 .2058  .5831       .0014  .0068  .0147 -.0004  .0006 -.0037