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 980 deg C DIS _database_code_amcsd 0003668 18.3653 8.8819 5.2305 90 90 90 Pbca atom x y z occ Biso Mg1 .37541 .65383 .87209 .9300 .4555 Mn1 .37541 .65383 .87209 .0685 .4555 Ti1 .37541 .65383 .87209 .0015 .4555 Mg2 .37744 .48056 .36819 .5025 .6798 Mn2 .37744 .48056 .36819 .4730 .6798 Ca2 .37744 .48056 .36819 .0245 .6798 SiA .27114 .34110 .04843 .3508 SiB .47477 .33774 .79486 .9969 .3591 AlB .47477 .33774 .79486 .0031 .3591 O1A .18343 .33862 .04032 .4475 O2A .30988 .50158 .04639 .5699 O3A .30235 .22899 .82249 .6058 O1B .56286 .33919 .79654 .5044 O2B .43490 .48658 .69994 .6916 O3B .44776 .20331 .59138 .5936