Li2MnTi3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Mn(1) is bonded to six equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Ti(1) atoms to form distorted OLiTi3 trigonal pyramids that share corners with three equivalent O(1)LiTi3 trigonal pyramids, corners with nine equivalent O(2)LiTi2Mn trigonal pyramids, and edges with three equivalent O(2)LiTi2Mn trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share corners with three equivalent O(1)LiTi3 trigonal pyramids, corners with nine equivalent O(2)LiTi2Mn trigonal pyramids,  an edgeedge with one O(1)LiTi3 trigonal pyramid, and edges with two equivalent O(2)LiTi2Mn trigonal pyramids.
Li2MnTi3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. The Li(1)-O(1) bond length is 2.24 Å. All Li(1)-O(2) bond lengths are 2.00 Å. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Both Ti(1)-O(1) bond lengths are 2.03 Å. All Ti(1)-O(2) bond lengths are 1.97 Å. Mn(1) is bonded to six equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Ti(1)O6 octahedra. All Mn(1)-O(2) bond lengths are 2.17 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Ti(1) atoms to form distorted OLiTi3 trigonal pyramids that share corners with three equivalent O(1)LiTi3 trigonal pyramids, corners with nine equivalent O(2)LiTi2Mn trigonal pyramids, and edges with three equivalent O(2)LiTi2Mn trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share corners with three equivalent O(1)LiTi3 trigonal pyramids, corners with nine equivalent O(2)LiTi2Mn trigonal pyramids,  an edgeedge with one O(1)LiTi3 trigonal pyramid, and edges with two equivalent O(2)LiTi2Mn trigonal pyramids.