Orthopyroxene
Tachi T, Horiuchi H, Nagasawa H
Physics and Chemistry of Minerals 24 (1997) 463-476
Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6,
and behavior of Cu2+ in the orthopyroxene structure
_database_code_amcsd 0008029
18.221 8.890 5.2260 90 90 90 Pbca
atom      x       y     z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
MgM1 .12430   .3474 .3864       .42  .0004  .0008  .0043   .0000 -.00004   .0001
MgM2 .12494 -.00781 .3813 .436  .48  .0005 .00087  .0046  .00007  .00036  .00046
CuM2 .12494 -.00781 .3813 .564  .48  .0005 .00087  .0046  .00007  .00036  .00046
SiTA .22621  -.1610 .0739       .29 .00027 .00065  .0028  .00008 -.00007  -.0001
SiTB .02583  -.3374 .2821       .34 .00036 .00068  .0029  .00004 -.00009  -.0001
O1A   .1856   .3355 .0635       .52 .00039  .0014  .0052 -.00002   .0001 -.00002
O2A   .1875   .0015 .0742       .67 .00067  .0010  .0074   .0004   .0001   .0004
O3A   .1945  -.2282 .3485       .63 .00052  .0022  .0045  .00010  -.0004   .0012
O1B   .0637   .1590 .2156       .44 .00035  .0012  .0044  .00006  -.0001   .0004
O2B   .0678   .5123 .1931       .58 .00068  .0011  .0045  .00020  -.0001  -.0004
O3B   .0508  -.2056 .0760       .58 .00052  .0020  .0037 -.00024   .0000   .0014