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 = 1200 K
_database_code_amcsd 0001696
18.4317 8.9822 5.2647 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  .3750 .6511  .8884 .885  .0016  .0066  .0153  .0000 -.0006  .0002
Fe1  .3750 .6511  .8884 .115  .0016  .0066  .0153  .0000 -.0006  .0002
Mg2  .3763 .4863  .3853 .617  .0024  .0088  .0222 -.0005 -.0021  .0008
Fe2  .3763 .4863  .3853 .383  .0024  .0088  .0222 -.0005 -.0021  .0008
SiA  .2721 .3396  .0656       .0010  .0049  .0117 -.0002  .0000 -.0004
SiB  .4756 .3380  .7807       .0010  .0049  .0136  .0001 -.0004  .0000
O1A  .1850 .3392  .0594       .0009  .0078  .0164  .0000  .0003  .0000
O1B  .5631 .3424  .7829       .0012  .0070  .0187 -.0005 -.0004 -.0003
O2A  .3115 .4965  .0726       .0021  .0065  .0218 -.0015 -.0010  .0010
O2B  .4347 .4870  .7052       .0020  .0069  .0224  .0014 -.0003  .0020
O3A  .3022 .2339 -.1658       .0017  .0117  .0141  .0004 -.0004 -.0059
O3B  .4490 .2136  .5664       .0013  .0117  .0249 -.0006  .0004 -.0075