Li2MnTi3O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Li site, Li(2) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. 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 Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. Mn(1) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to one Ti(1), two equivalent Ti(2), and one Mn(1) atom to form distorted OTi3Mn trigonal pyramids that share  a cornercorner with one O(5)LiTi2Mn tetrahedra, corners with two equivalent O(6)LiTi2Mn tetrahedra, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with four equivalent O(3)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Mn tetrahedra, and edges with two equivalent O(6)LiTi2Mn tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 trigonal pyramids that share corners with two equivalent O(5)LiTi2Mn tetrahedra, corners with five equivalent O(6)LiTi2Mn tetrahedra,  a cornercorner with one O(3)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Li2Ti2 trigonal pyramid, corners with two equivalent O(2)Ti3Mn trigonal pyramids,  an edgeedge with one O(3)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(4)Li2Ti2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), and two equivalent Ti(2) atoms to form distorted OLi2Ti2 trigonal pyramids that share corners with three equivalent O(5)LiTi2Mn tetrahedra, corners with four equivalent O(6)LiTi2Mn tetrahedra, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with two equivalent O(2)Ti3Mn trigonal pyramids, and edges with two equivalent O(3)Li2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with two equivalent O(6)LiTi2Mn tetrahedra,  a cornercorner with one O(2)Ti3Mn trigonal pyramid, corners with three equivalent O(4)Li2Ti2 trigonal pyramids, corners with four equivalent O(3)Li2Ti2 trigonal pyramids, edges with two equivalent O(6)LiTi2Mn tetrahedra, and  an edgeedge with one O(2)Ti3Mn trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Ti(1), one Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share  a cornercorner with one O(5)LiTi2Mn tetrahedra,  a cornercorner with one O(6)LiTi2Mn tetrahedra,  a cornercorner with one O(2)Ti3Mn trigonal pyramid, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with five equivalent O(3)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Mn tetrahedra,  an edgeedge with one O(6)LiTi2Mn tetrahedra, and  an edgeedge with one O(2)Ti3Mn trigonal pyramid.
Li2MnTi3O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(4) bond length is 2.02 Å. Both Li(1)-O(3) bond lengths are 2.03 Å. In the second Li site, Li(2) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The Li(2)-O(4) bond length is 2.16 Å. The Li(2)-O(5) bond length is 2.09 Å. Both Li(2)-O(3) bond lengths are 2.16 Å. Both Li(2)-O(6) bond lengths are 2.10 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The Ti(1)-O(1) bond length is 2.04 Å. The Ti(1)-O(2) bond length is 2.07 Å. Both Ti(1)-O(3) bond lengths are 1.94 Å. Both Ti(1)-O(6) bond lengths are 1.98 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 Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The Ti(2)-O(1) bond length is 2.03 Å. The Ti(2)-O(2) bond length is 2.06 Å. The Ti(2)-O(3) bond length is 1.93 Å. The Ti(2)-O(4) bond length is 1.93 Å. The Ti(2)-O(5) bond length is 1.99 Å. The Ti(2)-O(6) bond length is 1.99 Å. Mn(1) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. The Mn(1)-O(2) bond length is 2.09 Å. The Mn(1)-O(5) bond length is 2.04 Å. Both Mn(1)-O(6) bond lengths are 2.03 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to one Ti(1), two equivalent Ti(2), and one Mn(1) atom to form distorted OTi3Mn trigonal pyramids that share  a cornercorner with one O(5)LiTi2Mn tetrahedra, corners with two equivalent O(6)LiTi2Mn tetrahedra, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with four equivalent O(3)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Mn tetrahedra, and edges with two equivalent O(6)LiTi2Mn tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 trigonal pyramids that share corners with two equivalent O(5)LiTi2Mn tetrahedra, corners with five equivalent O(6)LiTi2Mn tetrahedra,  a cornercorner with one O(3)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Li2Ti2 trigonal pyramid, corners with two equivalent O(2)Ti3Mn trigonal pyramids,  an edgeedge with one O(3)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(4)Li2Ti2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), and two equivalent Ti(2) atoms to form distorted OLi2Ti2 trigonal pyramids that share corners with three equivalent O(5)LiTi2Mn tetrahedra, corners with four equivalent O(6)LiTi2Mn tetrahedra, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with two equivalent O(2)Ti3Mn trigonal pyramids, and edges with two equivalent O(3)Li2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with two equivalent O(6)LiTi2Mn tetrahedra,  a cornercorner with one O(2)Ti3Mn trigonal pyramid, corners with three equivalent O(4)Li2Ti2 trigonal pyramids, corners with four equivalent O(3)Li2Ti2 trigonal pyramids, edges with two equivalent O(6)LiTi2Mn tetrahedra, and  an edgeedge with one O(2)Ti3Mn trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Ti(1), one Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share  a cornercorner with one O(5)LiTi2Mn tetrahedra,  a cornercorner with one O(6)LiTi2Mn tetrahedra,  a cornercorner with one O(2)Ti3Mn trigonal pyramid, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with five equivalent O(3)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Mn tetrahedra,  an edgeedge with one O(6)LiTi2Mn tetrahedra, and  an edgeedge with one O(2)Ti3Mn trigonal pyramid.