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 GPa, in air, same # of reflections as DAC crystal
_database_code_amcsd 0004557
18.2889 8.8662 5.2175 90 90 90 Pbca
atom        x      y      z  occ   Uiso
Fe2+M2 .37962 .48150  .3618 .818  .0086
MgM2   .37962 .48150  .3618 .156  .0086
CaM2   .37962 .48150  .3618 .010  .0086
MnM2   .37962 .48150  .3618 .016  .0086
Fe2+M1 .37582 .65443 .86913 .081  .0066
MgM1   .37582 .65443 .86913 .767  .0066
AlM1   .37582 .65443 .86913 .084  .0066
Fe3+M1 .37582 .65443 .86913 .068  .0066
SiTA   .27142  .3411  .0480      .00564
SiTB   .47330  .3366  .8012 .848  .0059
AlTB   .47330  .3366  .8012 .152  .0059
O1A     .1832  .3382  .0405       .0079
O2A     .3111  .5014  .0514       .0097
O3A     .3021  .2317 -.1798       .0090
O1B     .5631  .3350  .8033       .0087
O2B     .4335  .4851  .6953       .0088
O3B     .4466  .3026  .1044       .0114