MgMnCo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form MgO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OMgMnCo2 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OMgCo3 tetrahedra. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(3) atom.
MgMnCo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form MgO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Mg(1)-O(1) bond length is 2.01 Å. The Mg(1)-O(2) bond length is 1.95 Å. The Mg(1)-O(4) bond length is 2.02 Å. The Mg(1)-O(6) bond length is 1.98 Å. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.98 Å. The Mn(1)-O(5) bond length is 1.92 Å. The Mn(1)-O(7) bond length is 1.91 Å. The Mn(1)-O(8) bond length is 1.91 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Co(1)-O(1) bond length is 1.97 Å. The Co(1)-O(3) bond length is 1.86 Å. The Co(1)-O(4) bond length is 1.96 Å. The Co(1)-O(5) bond length is 1.86 Å. The Co(1)-O(6) bond length is 1.94 Å. The Co(1)-O(8) bond length is 1.89 Å. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Co(2)-O(2) bond length is 2.06 Å. The Co(2)-O(3) bond length is 1.91 Å. The Co(2)-O(4) bond length is 2.06 Å. The Co(2)-O(5) bond length is 2.07 Å. The Co(2)-O(6) bond length is 1.98 Å. The Co(2)-O(7) bond length is 2.06 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The Co(3)-O(1) bond length is 2.07 Å. The Co(3)-O(2) bond length is 1.98 Å. The Co(3)-O(3) bond length is 2.07 Å. The Co(3)-O(6) bond length is 2.07 Å. The Co(3)-O(7) bond length is 1.88 Å. The Co(3)-O(8) bond length is 2.08 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OMgMnCo2 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OMgCo3 tetrahedra. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(3) atom.