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 57-63°. 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 to one Mg(1), one Mn(1), one Co(1), and one Co(3) atom to form distorted OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(6)MgCo3 tetrahedra,  a cornercorner with one O(4)MgMnCo2 tetrahedra,  a cornercorner with one O(2)MgMnCo2 trigonal pyramid,  an edgeedge with one O(6)MgCo3 tetrahedra,  an edgeedge with one O(4)MgMnCo2 tetrahedra, and  an edgeedge with one O(2)MgMnCo2 trigonal pyramid. 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 distorted OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(6)MgCo3 tetrahedra,  a cornercorner with one O(4)MgMnCo2 tetrahedra,  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  an edgeedge with one O(6)MgCo3 tetrahedra,  an edgeedge with one O(4)MgMnCo2 tetrahedra, and  an edgeedge with one O(1)MgMnCo2 trigonal pyramid. 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 to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom to form distorted OMgMnCo2 tetrahedra that share  a cornercorner with one O(6)MgCo3 tetrahedra,  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  a cornercorner with one O(2)MgMnCo2 trigonal pyramid,  an edgeedge with one O(6)MgCo3 tetrahedra,  an edgeedge with one O(1)MgMnCo2 trigonal pyramid, and  an edgeedge with one O(2)MgMnCo2 trigonal pyramid. 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 corner and edge-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 57-63°. The Mg(1)-O(1) bond length is 2.02 Å. The Mg(1)-O(2) bond length is 2.01 Å. The Mg(1)-O(4) bond length is 1.95 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 1.98 Å. The Mn(1)-O(4) bond length is 1.97 Å. The Mn(1)-O(5) bond length is 1.91 Å. The Mn(1)-O(7) bond length is 1.91 Å. The Mn(1)-O(8) bond length is 1.92 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 2.06 Å. The Co(1)-O(3) bond length is 1.92 Å. The Co(1)-O(4) bond length is 2.06 Å. The Co(1)-O(5) bond length is 2.05 Å. The Co(1)-O(6) bond length is 1.98 Å. The Co(1)-O(8) bond length is 2.06 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 2.07 Å. The Co(2)-O(3) bond length is 2.06 Å. The Co(2)-O(4) bond length is 1.98 Å. The Co(2)-O(5) bond length is 1.89 Å. The Co(2)-O(6) bond length is 2.07 Å. The Co(2)-O(7) bond length is 2.07 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 1.97 Å. The Co(3)-O(2) bond length is 1.97 Å. The Co(3)-O(3) bond length is 1.86 Å. The Co(3)-O(6) bond length is 1.94 Å. The Co(3)-O(7) bond length is 1.88 Å. The Co(3)-O(8) bond length is 1.87 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Co(1), and one Co(3) atom to form distorted OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(6)MgCo3 tetrahedra,  a cornercorner with one O(4)MgMnCo2 tetrahedra,  a cornercorner with one O(2)MgMnCo2 trigonal pyramid,  an edgeedge with one O(6)MgCo3 tetrahedra,  an edgeedge with one O(4)MgMnCo2 tetrahedra, and  an edgeedge with one O(2)MgMnCo2 trigonal pyramid. 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 distorted OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(6)MgCo3 tetrahedra,  a cornercorner with one O(4)MgMnCo2 tetrahedra,  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  an edgeedge with one O(6)MgCo3 tetrahedra,  an edgeedge with one O(4)MgMnCo2 tetrahedra, and  an edgeedge with one O(1)MgMnCo2 trigonal pyramid. 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 to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom to form distorted OMgMnCo2 tetrahedra that share  a cornercorner with one O(6)MgCo3 tetrahedra,  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  a cornercorner with one O(2)MgMnCo2 trigonal pyramid,  an edgeedge with one O(6)MgCo3 tetrahedra,  an edgeedge with one O(1)MgMnCo2 trigonal pyramid, and  an edgeedge with one O(2)MgMnCo2 trigonal pyramid. 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 corner and edge-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.