Li2MnTi3O8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(4) 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 57-66°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. Mn(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four 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(4)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTi3 tetrahedra, and edges with three equivalent O(4)LiTi2Mn tetrahedra. In the second O site, O(2) is bonded to one Li(2) and three equivalent Ti(1) atoms to form distorted OLiTi3 tetrahedra that share corners with six equivalent O(4)LiTi2Mn tetrahedra and corners with three equivalent O(1)LiTi3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with two equivalent O(4)LiTi2Mn tetrahedra, corners with two equivalent O(2)LiTi3 tetrahedra,  a cornercorner with one O(1)LiTi3 trigonal pyramid, edges with two equivalent O(4)LiTi2Mn tetrahedra, and  an edgeedge with one O(1)LiTi3 trigonal pyramid.
Li2MnTi3O8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(4) 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 57-66°. The Li(1)-O(1) bond length is 2.16 Å. All Li(1)-O(4) bond lengths are 2.00 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(3) atoms. The Li(2)-O(2) bond length is 1.82 Å. All Li(2)-O(3) bond lengths are 1.94 Å. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. The Ti(1)-O(1) bond length is 2.02 Å. The Ti(1)-O(2) bond length is 2.01 Å. Both Ti(1)-O(3) bond lengths are 1.99 Å. Both Ti(1)-O(4) bond lengths are 1.96 Å. Mn(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Mn(1)-O(3) bond lengths are 2.15 Å. All Mn(1)-O(4) bond lengths are 2.31 Å. There are four 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(4)LiTi2Mn tetrahedra, corners with three equivalent O(2)LiTi3 tetrahedra, and edges with three equivalent O(4)LiTi2Mn tetrahedra. In the second O site, O(2) is bonded to one Li(2) and three equivalent Ti(1) atoms to form distorted OLiTi3 tetrahedra that share corners with six equivalent O(4)LiTi2Mn tetrahedra and corners with three equivalent O(1)LiTi3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with two equivalent O(4)LiTi2Mn tetrahedra, corners with two equivalent O(2)LiTi3 tetrahedra,  a cornercorner with one O(1)LiTi3 trigonal pyramid, edges with two equivalent O(4)LiTi2Mn tetrahedra, and  an edgeedge with one O(1)LiTi3 trigonal pyramid.