Crystal and magnetic structures of the brownmillerite compound Ca2Fe1.039(8)Mn0.962(8)O5

Abstract

The crystal and magnetic structures of the brownmillerite material, Ca2Fe1.039(8)Mn0.962(8)O5 were investigated using powder X-ray and neutron diffraction methods, the latter from 3.8 to 700K. The compound crystallizes in Pnma space group with unit cell parameters of a=5.3055(5)Å, b=15.322(2)Å, c=5.4587(6)Å at 300K. The neutron diffraction study revealed the occupancies of Fe3+ and Mn3+ ions in both octahedral and tetrahedral sites and showed …