MgMn3O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Mn3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(2) atoms.
MgMn3O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. The Mg(1)-O(1) bond length is 1.98 Å. The Mg(1)-O(2) bond length is 1.98 Å. Both Mg(1)-O(3) bond lengths are 2.10 Å. Both Mg(1)-O(4) bond lengths are 2.10 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. The Mn(1)-O(1) bond length is 2.61 Å. The Mn(1)-O(2) bond length is 2.57 Å. Both Mn(1)-O(3) bond lengths are 2.15 Å. Both Mn(1)-O(4) bond lengths are 2.15 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Mn(2)-O(3) bond length is 2.04 Å. The Mn(2)-O(5) bond length is 1.94 Å. Both Mn(2)-O(2) bond lengths are 1.95 Å. Both Mn(2)-O(6) bond lengths are 1.95 Å. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Mn(3)-O(4) bond length is 2.04 Å. The Mn(3)-O(6) bond length is 1.95 Å. Both Mn(3)-O(1) bond lengths are 1.95 Å. Both Mn(3)-O(5) bond lengths are 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Mn3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(2) atoms.