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 = 1300 K
_database_code_amcsd 0001697
18.5132 8.9809 5.3243 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  .3746 .6502  .9084 .881  .0018  .0070  .0170  .0000 -.0005  .0003
Fe1  .3746 .6502  .9084 .119  .0018  .0070  .0170  .0000 -.0005  .0003
Mg2  .3753 .4870  .4080 .621  .0027  .0103  .0237 -.0004 -.0017  .0003
Fe2  .3753 .4870  .4080 .379  .0027  .0103  .0237 -.0004 -.0017  .0003
SiA  .2717 .3391  .0829       .0013  .0053  .0137 -.0003 -.0003 -.0002
SiB  .4773 .3391  .7612       .0011  .0061  .0138  .0002 -.0002  .0005
O1A  .1849 .3410  .0788       .0011  .0088  .0181  .0000 -.0009  .0007
O1B  .5642 .3431  .7637       .0013  .0082  .0265 -.0004 -.0003  .0016
O2A  .3126 .4951  .0918       .0028  .0065  .0251 -.0013  .0001  .0002
O2B  .4363 .4938  .7223       .0024  .0077  .0244  .0019  .0006  .0006
O3A  .3018 .2380 -.1556       .0015  .0140  .0210 -.0002  .0000 -.0080
O3B  .4508 .2405  .5190       .0022  .0186  .0308 -.0010  .0007 -.0170