MgFe2O4 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. In the second Mg site, Mg(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Fe site, Fe(2) 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 Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom.
MgFe2O4 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Mg(1)-O(2) bond lengths are 2.06 Å. All Mg(1)-O(3) bond lengths are 2.02 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Mg(2)-O(1) bond lengths are 2.06 Å. All Mg(2)-O(3) bond lengths are 2.02 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Fe(1)-O(1) bond length is 1.93 Å. The Fe(1)-O(2) bond length is 1.96 Å. Both Fe(1)-O(3) bond lengths are 1.86 Å. In the second Fe site, Fe(2) 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 Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. Both Fe(2)-O(1) bond lengths are 1.97 Å. Both Fe(2)-O(2) bond lengths are 1.95 Å. Both Fe(2)-O(3) bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom.