Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded to two equivalent Mn(1), one Fe(1), and one Sb(1) atom to form distorted corner-sharing OMn2FeSb tetrahedra.
Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.17 Å) and one longer (2.27 Å) Mn(1)-O(3) bond length. There are a spread of Mn(1)-O(1) bond distances ranging from 2.18-2.70 Å. There are a spread of Mn(1)-O(2) bond distances ranging from 2.17-2.80 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Both Fe(1)-O(1) bond lengths are 2.02 Å. Both Fe(1)-O(2) bond lengths are 2.04 Å. Both Fe(1)-O(3) bond lengths are 2.09 Å. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Both Sb(1)-O(1) bond lengths are 2.01 Å. Both Sb(1)-O(2) bond lengths are 2.01 Å. Both Sb(1)-O(3) bond lengths are 2.03 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded to two equivalent Mn(1), one Fe(1), and one Sb(1) atom to form distorted corner-sharing OMn2FeSb tetrahedra.