Materials Data on Mn2FeSbO6 by Materials Project

Abstract

Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.17–2.80 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Fe–O bond distances ranging from 2.02–2.09 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are four shorter (2.01 Å) and two longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mn2+, one Fe3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn2+, one Fe3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two equivalent Mn2+, one Fe3+, and one Sb5+ atom to form distorted corner-sharing OMn2FeSb tetrahedra.