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 900 deg C DIS _database_code_amcsd 0003669 18.3686 8.8828 5.2287 90 90 90 Pbca atom x y z occ Biso Mg1 .37542 .65387 .87215 .9362 .5294 Mn1 .37542 .65387 .87215 .0623 .5294 Ti1 .37542 .65387 .87215 .0015 .5294 Mg2 .37743 .48061 .36829 .4963 .7595 Mn2 .37743 .48061 .36829 .4792 .7595 Ca2 .37743 .48061 .36829 .0245 .7595 SiA .27114 .34111 .04843 .4242 SiB .47481 .33777 .79492 .9969 .4258 AlB .47481 .33777 .79492 .0031 .4258 O1A .18342 .33867 .04050 .4475 O2A .30982 .50160 .04651 .6283 O3A .30228 .22905 .82286 .6873 O1B .56293 .33911 .79670 .5532 O2B .43493 .48675 .70004 .7622 O3B .44773 .20355 .59141 .7044