Orthopyroxene
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
American Mineralogist 93 (2008) 644-652
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
Sample: P = 1.715 GPa
_database_code_amcsd 0004559
18.2192 8.8111 5.1965 90 90 90 Pbca
atom        x     y     z  occ  Uiso
Fe2+M2 .37964 .4803 .3588 .818 .0109
MgM2   .37964 .4803 .3588 .156 .0109
CaM2   .37964 .4803 .3588 .010 .0109
MnM2   .37964 .4803 .3588 .016 .0109
Fe2+M1 .37578 .6552 .8664 .081 .0103
MgM1   .37578 .6552 .8664 .767 .0103
AlM1   .37578 .6552 .8664 .084 .0103
Fe3+M1 .37578 .6552 .8664 .068 .0103
SiTA   .27127 .3410 .0448      .0064
SiTB   .47318 .3365 .8037 .848 .0066
AlTB   .47318 .3365 .8037 .152 .0066
O1A     .1832 .3370 .0370       .009
O2A     .3107 .5028 .0452       .010
O3A     .3026 .2325 -.185       .009
O1B     .5624 .3352 .8072       .008
O2B     .4337 .4868 .6926       .012
O3B     .4460 .3043 .1032       .010