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(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MgO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, and  a faceface with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. Mn(1) 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 MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 corner-sharing octahedral tilt angles range from 45-48°. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 corner-sharing octahedral tilt angles range from 47-49°. In the second Co site, Co(2) 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 two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Co site, Co(3) 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 two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. 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(2) atom to form OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(4)MgCo3 trigonal pyramid,  a cornercorner with one O(5)MgCo3 trigonal pyramid,  a cornercorner with one O(7)MgMnCo2 trigonal pyramid,  an edgeedge with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(5)MgCo3 trigonal pyramid, and  an edgeedge with one O(7)MgMnCo2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form OMgCo3 trigonal pyramids that share  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  a cornercorner with one O(7)MgMnCo2 trigonal pyramid, corners with four equivalent O(5)MgCo3 trigonal pyramids,  an edgeedge with one O(1)MgMnCo2 trigonal pyramid, and  an edgeedge with one O(7)MgMnCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form OMgCo3 trigonal pyramids that share  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  a cornercorner with one O(7)MgMnCo2 trigonal pyramid, corners with four equivalent O(4)MgCo3 trigonal pyramids,  an edgeedge with one O(1)MgMnCo2 trigonal pyramid, and  an edgeedge with one O(7)MgMnCo2 trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(2), and one Co(3) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Co(1), and one Co(3) atom to form OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(4)MgCo3 trigonal pyramid,  a cornercorner with one O(5)MgCo3 trigonal pyramid,  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  an edgeedge with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(5)MgCo3 trigonal pyramid, and  an edgeedge with one O(1)MgMnCo2 trigonal pyramid. 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(2) 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(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MgO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, and  a faceface with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. The Mg(1)-O(1) bond length is 2.20 Å. The Mg(1)-O(3) bond length is 2.11 Å. The Mg(1)-O(4) bond length is 2.15 Å. The Mg(1)-O(5) bond length is 2.18 Å. The Mg(1)-O(6) bond length is 2.10 Å. The Mg(1)-O(7) bond length is 2.19 Å. Mn(1) 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 MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 corner-sharing octahedral tilt angles range from 45-48°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.92 Å. The Mn(1)-O(3) bond length is 1.94 Å. The Mn(1)-O(6) bond length is 1.94 Å. The Mn(1)-O(7) bond length is 1.95 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(2), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 corner-sharing octahedral tilt angles range from 47-49°. The Co(1)-O(1) bond length is 1.94 Å. The Co(1)-O(2) bond length is 1.86 Å. The Co(1)-O(4) bond length is 1.92 Å. The Co(1)-O(5) bond length is 1.92 Å. The Co(1)-O(7) bond length is 1.94 Å. The Co(1)-O(8) bond length is 1.86 Å. In the second Co site, Co(2) 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 two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Co(2)-O(1) bond length is 1.92 Å. The Co(2)-O(3) bond length is 1.93 Å. The Co(2)-O(4) bond length is 1.93 Å. The Co(2)-O(5) bond length is 1.92 Å. The Co(2)-O(6) bond length is 1.92 Å. The Co(2)-O(8) bond length is 1.88 Å. In the third Co site, Co(3) 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 two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Co(3)-O(2) bond length is 1.88 Å. The Co(3)-O(3) bond length is 1.92 Å. The Co(3)-O(4) bond length is 1.92 Å. The Co(3)-O(5) bond length is 1.92 Å. The Co(3)-O(6) bond length is 1.93 Å. The Co(3)-O(7) bond length is 1.92 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(2) atom to form OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(4)MgCo3 trigonal pyramid,  a cornercorner with one O(5)MgCo3 trigonal pyramid,  a cornercorner with one O(7)MgMnCo2 trigonal pyramid,  an edgeedge with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(5)MgCo3 trigonal pyramid, and  an edgeedge with one O(7)MgMnCo2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form OMgCo3 trigonal pyramids that share  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  a cornercorner with one O(7)MgMnCo2 trigonal pyramid, corners with four equivalent O(5)MgCo3 trigonal pyramids,  an edgeedge with one O(1)MgMnCo2 trigonal pyramid, and  an edgeedge with one O(7)MgMnCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form OMgCo3 trigonal pyramids that share  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  a cornercorner with one O(7)MgMnCo2 trigonal pyramid, corners with four equivalent O(4)MgCo3 trigonal pyramids,  an edgeedge with one O(1)MgMnCo2 trigonal pyramid, and  an edgeedge with one O(7)MgMnCo2 trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(2), and one Co(3) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Co(1), and one Co(3) atom to form OMgMnCo2 trigonal pyramids that share  a cornercorner with one O(4)MgCo3 trigonal pyramid,  a cornercorner with one O(5)MgCo3 trigonal pyramid,  a cornercorner with one O(1)MgMnCo2 trigonal pyramid,  an edgeedge with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(5)MgCo3 trigonal pyramid, and  an edgeedge with one O(1)MgMnCo2 trigonal pyramid. 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(2) atom.