LiMnTiO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with six equivalent O(1)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTiMn2 trigonal pyramids, corners with three equivalent O(3)LiTiMn2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Mn tetrahedra,  an edgeedge with one O(2)LiTiMn2 trigonal pyramid, and  an edgeedge with one O(3)LiTiMn2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OLiTiMn2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTiMn2 trigonal pyramids, corners with three equivalent O(3)LiTiMn2 trigonal pyramids, edges with two equivalent O(1)LiTi2Mn tetrahedra, and  an edgeedge with one O(3)LiTiMn2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Ti(2), and two equivalent Mn(1) atoms to form distorted OLiTiMn2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTiMn2 trigonal pyramids, corners with three equivalent O(3)LiTiMn2 trigonal pyramids, edges with two equivalent O(1)LiTi2Mn tetrahedra, and  an edgeedge with one O(2)LiTiMn2 trigonal pyramid.
LiMnTiO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(3) bond length is 1.98 Å. Both Li(1)-O(1) bond lengths are 2.08 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Both Ti(1)-O(2) bond lengths are 1.92 Å. All Ti(1)-O(1) bond lengths are 2.03 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Both Ti(2)-O(3) bond lengths are 1.92 Å. All Ti(2)-O(1) bond lengths are 2.03 Å. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. Both Mn(1)-O(1) bond lengths are 1.95 Å. Both Mn(1)-O(2) bond lengths are 2.10 Å. Both Mn(1)-O(3) bond lengths are 2.10 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with six equivalent O(1)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTiMn2 trigonal pyramids, corners with three equivalent O(3)LiTiMn2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Mn tetrahedra,  an edgeedge with one O(2)LiTiMn2 trigonal pyramid, and  an edgeedge with one O(3)LiTiMn2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OLiTiMn2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTiMn2 trigonal pyramids, corners with three equivalent O(3)LiTiMn2 trigonal pyramids, edges with two equivalent O(1)LiTi2Mn tetrahedra, and  an edgeedge with one O(3)LiTiMn2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Ti(2), and two equivalent Mn(1) atoms to form distorted OLiTiMn2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTiMn2 trigonal pyramids, corners with three equivalent O(3)LiTiMn2 trigonal pyramids, edges with two equivalent O(1)LiTi2Mn tetrahedra, and  an edgeedge with one O(2)LiTiMn2 trigonal pyramid.