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 = 1100 K
_database_code_amcsd 0001695
18.4105 8.9691 5.2540 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 .6518  .8826 .901  .0014  .0054  .0136  .0000 -.0008  .0002
Fe1  .3751 .6518  .8826 .099  .0014  .0054  .0136  .0000 -.0008  .0002
Mg2  .3767 .4856  .3784 .601  .0021  .0074  .0182 -.0003 -.0016  .0007
Fe2  .3767 .4856  .3784 .399  .0021  .0074  .0182 -.0003 -.0016  .0007
SiA  .2720 .3397  .0610       .0009  .0042  .0100 -.0003  .0000  .0000
SiB  .4750 .3376  .7864       .0009  .0043  .0111  .0000 -.0004  .0000
O1A  .1846 .3394  .0530       .0010  .0060  .0164  .0000  .0001 -.0006
O1B  .5627 .3405  .7888       .0009  .0071  .0167 -.0002 -.0006  .0008
O2A  .3111 .4976  .0654       .0019  .0058  .0192 -.0012 -.0006  .0009
O2B  .4342 .4853  .7012       .0017  .0049  .0196  .0011 -.0001  .0015
O3A  .3023 .2320 -.1675       .0015  .0094  .0137 -.0002  .0000 -.0047
O3B  .4489 .2084  .5780       .0015  .0081  .0178 -.0003  .0005 -.0047