Donpeacorite
Stimpfl M
American Mineralogist 90 (2005) 155-161
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene
Sample: quenched from 904 deg C ORD
_database_code_amcsd 0003670
18.3718 8.8836 5.2334 90 90 90 Pbca
atom      x      y      z   occ  Biso
Mg1  .37541 .65387 .87216 .9371  .453
Mn1  .37541 .65387 .87216 .0614  .453
Ti1  .37541 .65387 .87216 .0015  .453
Mg2  .37742 .48057 .36833 .4955 .6935
Mn2  .37742 .48057 .36833 .4480 .6935
Ca2  .37742 .48057 .36833 .0245 .6935
SiA  .27114 .34107 .04833       .3639
SiB  .47480 .33776 .79497 .9969 .3565
AlB  .47480 .33776 .79497 .0031 .3565
O1A  .18343 .33864 .04059       .4479
O2A  .30987 .50165 .04640       .5762
O3A  .30231 .22897 .82264       .6158
O1B  .56294 .33916 .79617       .5025
O2B  .43494 .48667 .70069       .7356
O3B  .44781 .20351 .59125       .6256