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 = 0.163 GPa
_database_code_amcsd 0004558
18.2804 8.8601 5.2161 90 90 90 Pbca
atom        x     y     z  occ  Uiso
Fe2+M2 .37962 .4811 .3614 .818 .0110
MgM2   .37962 .4811 .3614 .156 .0110
CaM2   .37962 .4811 .3614 .010 .0110
MnM2   .37962 .4811 .3614 .016 .0110
Fe2+M1 .37577 .6542 .8687 .081 .0110
MgM1   .37577 .6542 .8687 .767 .0110
AlM1   .37577 .6542 .8687 .084 .0110
Fe3+M1 .37577 .6542 .8687 .068 .0110
SiTA   .27140 .3406 .0479      .0058
SiTB   .47332 .3361 .8030 .848 .0068
AlTB   .47332 .3361 .8030 .152 .0068
O1A     .1830 .3370 .0401      .0086
O2A     .3112 .5012 .0502      .0096
O3A     .3021 .2326 -.181      .0086
O1B     .5626 .3351 .8044      .0096
O2B     .4335 .4857 .6913      .0108
O3B     .4464 .3030 .1008      .0094