MgMn3O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. 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 Mg(1)O6 octahedra, corners with four equivalent Mn(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 48-57°. 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 distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with four equivalent O(5)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(4)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(4)MgMn3 trigonal pyramids, and edges with two equivalent O(6)MgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(4)MgMn3 trigonal pyramids, corners with two equivalent O(6)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with four equivalent O(1)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(6)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(4)MgMn3 trigonal pyramids, and edges with two equivalent O(6)MgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(5)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(4)MgMn3 trigonal pyramids, corners with two equivalent O(6)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids.
MgMn3O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. The Mg(1)-O(4) bond length is 2.18 Å. The Mg(1)-O(6) bond length is 2.03 Å. Both Mg(1)-O(1) bond lengths are 2.16 Å. Both Mg(1)-O(5) bond lengths are 2.07 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 MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Mn(1)-O(1) bond length is 2.32 Å. The Mn(1)-O(2) bond length is 2.20 Å. Both Mn(1)-O(3) bond lengths are 1.94 Å. Both Mn(1)-O(4) bond lengths are 1.99 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 Mg(1)O6 octahedra, corners with four equivalent Mn(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 48-57°. The Mn(2)-O(3) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.99 Å. Both Mn(2)-O(2) bond lengths are 1.92 Å. Both Mn(2)-O(6) bond lengths are 2.01 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 distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. The Mn(3)-O(4) bond length is 1.93 Å. The Mn(3)-O(6) bond length is 1.96 Å. Both Mn(3)-O(1) bond lengths are 2.07 Å. Both Mn(3)-O(5) bond lengths are 2.19 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with four equivalent O(5)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(4)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(4)MgMn3 trigonal pyramids, and edges with two equivalent O(6)MgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(4)MgMn3 trigonal pyramids, corners with two equivalent O(6)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with four equivalent O(1)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(6)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(4)MgMn3 trigonal pyramids, and edges with two equivalent O(6)MgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(5)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(4)MgMn3 trigonal pyramids, corners with two equivalent O(6)MgMn3 trigonal pyramids, edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids.