MgTiMnO4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-49°. Mn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form OMg2TiMn trigonal pyramids that share corners with five equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form distorted OMg2TiMn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, corners with five equivalent O(4)MgTi2Mn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OMgTiMn2 tetrahedra that share corners with two equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(2)Mg2TiMn trigonal pyramid,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with five equivalent O(1)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(1)Mg2TiMn trigonal pyramid, corners with two equivalent O(4)MgTi2Mn trigonal pyramids, corners with five equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids.
MgTiMnO4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The Mg(1)-O(3) bond length is 2.03 Å. The Mg(1)-O(4) bond length is 2.07 Å. Both Mg(1)-O(1) bond lengths are 2.12 Å. Both Mg(1)-O(2) bond lengths are 2.34 Å. Ti(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-49°. The Ti(1)-O(1) bond length is 1.98 Å. The Ti(1)-O(2) bond length is 1.78 Å. The Ti(1)-O(3) bond length is 1.99 Å. Both Ti(1)-O(4) bond lengths are 1.94 Å. Mn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-58°. The Mn(1)-O(1) bond length is 2.02 Å. The Mn(1)-O(2) bond length is 2.38 Å. The Mn(1)-O(4) bond length is 2.15 Å. Both Mn(1)-O(3) bond lengths are 2.11 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form OMg2TiMn trigonal pyramids that share corners with five equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form distorted OMg2TiMn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, corners with five equivalent O(4)MgTi2Mn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OMgTiMn2 tetrahedra that share corners with two equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(2)Mg2TiMn trigonal pyramid,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with five equivalent O(1)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(1)Mg2TiMn trigonal pyramid, corners with two equivalent O(4)MgTi2Mn trigonal pyramids, corners with five equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids.