MgTi2Mn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids.
MgTi2Mn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. The Mg(1)-O(1) bond length is 2.14 Å. The Mg(1)-O(2) bond length is 2.14 Å. The Mg(1)-O(3) bond length is 2.14 Å. The Mg(1)-O(4) bond length is 2.02 Å. The Mg(1)-O(5) bond length is 2.02 Å. The Mg(1)-O(6) bond length is 2.03 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. The Ti(1)-O(1) bond length is 2.01 Å. The Ti(1)-O(2) bond length is 2.01 Å. The Ti(1)-O(3) bond length is 2.01 Å. The Ti(1)-O(4) bond length is 2.22 Å. The Ti(1)-O(5) bond length is 2.22 Å. The Ti(1)-O(6) bond length is 2.22 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. The Ti(2)-O(1) bond length is 2.08 Å. The Ti(2)-O(2) bond length is 2.08 Å. The Ti(2)-O(3) bond length is 2.08 Å. The Ti(2)-O(4) bond length is 2.17 Å. The Ti(2)-O(5) bond length is 2.17 Å. The Ti(2)-O(6) bond length is 2.17 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mn(1)-O(1) bond length is 2.43 Å. The Mn(1)-O(2) bond length is 2.43 Å. The Mn(1)-O(3) bond length is 2.44 Å. The Mn(1)-O(4) bond length is 2.10 Å. The Mn(1)-O(5) bond length is 2.10 Å. The Mn(1)-O(6) bond length is 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. The Mn(2)-O(1) bond length is 2.29 Å. The Mn(2)-O(2) bond length is 2.28 Å. The Mn(2)-O(3) bond length is 2.28 Å. The Mn(2)-O(4) bond length is 2.11 Å. The Mn(2)-O(5) bond length is 2.10 Å. The Mn(2)-O(6) bond length is 2.10 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids.