MgTi2Mn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted see-saw-like geometry to one O(4), one O(6), and two equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form OMg2Ti3 square pyramids that share corners with three equivalent O(6)MgTiMn2 trigonal pyramids, corners with three equivalent O(3)Ti2Mn2 trigonal pyramids, edges with two equivalent O(2)Mg2Ti3 square pyramids, edges with two equivalent O(4)MgTi2Mn tetrahedra, and edges with two equivalent O(5)Ti3Mn tetrahedra. In the third O site, O(3) is bonded to one Ti(1), one Ti(2), and two equivalent Mn(1) atoms to form distorted OTi2Mn2 trigonal pyramids that share corners with three equivalent O(2)Mg2Ti3 square pyramids,  a cornercorner with one O(5)Ti3Mn tetrahedra, corners with two equivalent O(4)MgTi2Mn tetrahedra,  a cornercorner with one O(6)MgTiMn2 trigonal pyramid, corners with two equivalent O(3)Ti2Mn2 trigonal pyramids, and edges with two equivalent O(5)Ti3Mn tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(2), and one Mn(2) atom to form OMgTi2Mn tetrahedra that share corners with two equivalent O(4)MgTi2Mn tetrahedra, corners with two equivalent O(5)Ti3Mn tetrahedra,  a cornercorner with one O(6)MgTiMn2 trigonal pyramid, corners with two equivalent O(3)Ti2Mn2 trigonal pyramids, edges with two equivalent O(2)Mg2Ti3 square pyramids,  an edgeedge with one O(5)Ti3Mn tetrahedra, and edges with two equivalent O(6)MgTiMn2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ti(1), two equivalent Ti(2), and one Mn(1) atom to form OTi3Mn tetrahedra that share corners with two equivalent O(4)MgTi2Mn tetrahedra, corners with two equivalent O(5)Ti3Mn tetrahedra,  a cornercorner with one O(3)Ti2Mn2 trigonal pyramid, corners with two equivalent O(6)MgTiMn2 trigonal pyramids, edges with two equivalent O(2)Mg2Ti3 square pyramids,  an edgeedge with one O(4)MgTi2Mn tetrahedra, and edges with two equivalent O(3)Ti2Mn2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(2), and two equivalent Mn(2) atoms to form distorted OMgTiMn2 trigonal pyramids that share corners with three equivalent O(2)Mg2Ti3 square pyramids,  a cornercorner with one O(4)MgTi2Mn tetrahedra, corners with two equivalent O(5)Ti3Mn tetrahedra,  a cornercorner with one O(3)Ti2Mn2 trigonal pyramid, corners with two equivalent O(6)MgTiMn2 trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn tetrahedra.
MgTi2Mn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted see-saw-like geometry to one O(4), one O(6), and two equivalent O(2) atoms. The Mg(1)-O(4) bond length is 2.00 Å. The Mg(1)-O(6) bond length is 1.98 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) Mg(1)-O(2) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing TiO6 octahedra. The Ti(1)-O(3) bond length is 1.92 Å. The Ti(1)-O(5) bond length is 1.99 Å. Both Ti(1)-O(1) bond lengths are 2.01 Å. There is one shorter (2.10 Å) and one longer (2.11 Å) Ti(1)-O(2) bond length. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Ti(2)-O(2) bond length is 2.30 Å. The Ti(2)-O(3) bond length is 2.10 Å. The Ti(2)-O(6) bond length is 1.94 Å. Both Ti(2)-O(4) bond lengths are 2.02 Å. Both Ti(2)-O(5) bond lengths are 2.10 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. The Mn(1)-O(1) bond length is 2.42 Å. The Mn(1)-O(5) bond length is 2.14 Å. There is one shorter (2.19 Å) and one longer (2.20 Å) Mn(1)-O(3) bond length. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(6) atoms. The Mn(2)-O(1) bond length is 2.07 Å. The Mn(2)-O(4) bond length is 2.17 Å. Both Mn(2)-O(6) bond lengths are 2.09 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form OMg2Ti3 square pyramids that share corners with three equivalent O(6)MgTiMn2 trigonal pyramids, corners with three equivalent O(3)Ti2Mn2 trigonal pyramids, edges with two equivalent O(2)Mg2Ti3 square pyramids, edges with two equivalent O(4)MgTi2Mn tetrahedra, and edges with two equivalent O(5)Ti3Mn tetrahedra. In the third O site, O(3) is bonded to one Ti(1), one Ti(2), and two equivalent Mn(1) atoms to form distorted OTi2Mn2 trigonal pyramids that share corners with three equivalent O(2)Mg2Ti3 square pyramids,  a cornercorner with one O(5)Ti3Mn tetrahedra, corners with two equivalent O(4)MgTi2Mn tetrahedra,  a cornercorner with one O(6)MgTiMn2 trigonal pyramid, corners with two equivalent O(3)Ti2Mn2 trigonal pyramids, and edges with two equivalent O(5)Ti3Mn tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(2), and one Mn(2) atom to form OMgTi2Mn tetrahedra that share corners with two equivalent O(4)MgTi2Mn tetrahedra, corners with two equivalent O(5)Ti3Mn tetrahedra,  a cornercorner with one O(6)MgTiMn2 trigonal pyramid, corners with two equivalent O(3)Ti2Mn2 trigonal pyramids, edges with two equivalent O(2)Mg2Ti3 square pyramids,  an edgeedge with one O(5)Ti3Mn tetrahedra, and edges with two equivalent O(6)MgTiMn2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ti(1), two equivalent Ti(2), and one Mn(1) atom to form OTi3Mn tetrahedra that share corners with two equivalent O(4)MgTi2Mn tetrahedra, corners with two equivalent O(5)Ti3Mn tetrahedra,  a cornercorner with one O(3)Ti2Mn2 trigonal pyramid, corners with two equivalent O(6)MgTiMn2 trigonal pyramids, edges with two equivalent O(2)Mg2Ti3 square pyramids,  an edgeedge with one O(4)MgTi2Mn tetrahedra, and edges with two equivalent O(3)Ti2Mn2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(2), and two equivalent Mn(2) atoms to form distorted OMgTiMn2 trigonal pyramids that share corners with three equivalent O(2)Mg2Ti3 square pyramids,  a cornercorner with one O(4)MgTi2Mn tetrahedra, corners with two equivalent O(5)Ti3Mn tetrahedra,  a cornercorner with one O(3)Ti2Mn2 trigonal pyramid, corners with two equivalent O(6)MgTiMn2 trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn tetrahedra.