MgMn3FeO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Fe(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMgMn2Fe tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms.
MgMn3FeO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. The Mg(1)-O(1) bond length is 1.97 Å. The Mg(1)-O(3) bond length is 2.04 Å. Both Mg(1)-O(2) bond lengths are 1.99 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 2.00 Å. The Mn(1)-O(3) bond length is 2.00 Å. The Mn(1)-O(4) bond length is 1.92 Å. The Mn(1)-O(5) bond length is 1.93 Å. The Mn(1)-O(6) bond length is 1.90 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The Mn(2)-O(1) bond length is 2.21 Å. The Mn(2)-O(6) bond length is 2.24 Å. Both Mn(2)-O(2) bond lengths are 1.99 Å. Both Mn(2)-O(4) bond lengths are 1.95 Å. Fe(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The Fe(1)-O(3) bond length is 2.03 Å. The Fe(1)-O(5) bond length is 1.98 Å. Both Fe(1)-O(2) bond lengths are 1.99 Å. Both Fe(1)-O(4) bond lengths are 1.94 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OMgMn2Fe tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms.