Li2Ti3CrO8 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(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Cr(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Ti(1), and one Cr(1) atom to form distorted OLiTi2Cr tetrahedra that share corners with two equivalent O(2)LiTi2Cr tetrahedra, corners with two equivalent O(4)LiTi3 tetrahedra,  a cornercorner with one O(3)LiTi3 trigonal pyramid, edges with two equivalent O(2)LiTi2Cr tetrahedra, and  an edgeedge with one O(3)LiTi3 trigonal pyramid. In the third O site, O(3) 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(2)LiTi2Cr tetrahedra, corners with three equivalent O(4)LiTi3 tetrahedra, and edges with three equivalent O(2)LiTi2Cr tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Ti(1) atoms to form distorted OLiTi3 tetrahedra that share corners with six equivalent O(2)LiTi2Cr tetrahedra and corners with three equivalent O(3)LiTi3 trigonal pyramids.
Li2Ti3CrO8 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(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Li(1)-O(3) bond length is 2.03 Å. All Li(1)-O(2) bond lengths are 1.98 Å. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. The Li(2)-O(4) bond length is 1.78 Å. All Li(2)-O(1) bond lengths are 1.96 Å. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Ti(1)-O(3) bond length is 1.99 Å. The Ti(1)-O(4) bond length is 1.97 Å. Both Ti(1)-O(1) bond lengths are 2.00 Å. Both Ti(1)-O(2) bond lengths are 2.00 Å. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cr(1)-O(1) bond lengths are 2.08 Å. All Cr(1)-O(2) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Cr(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Ti(1), and one Cr(1) atom to form distorted OLiTi2Cr tetrahedra that share corners with two equivalent O(2)LiTi2Cr tetrahedra, corners with two equivalent O(4)LiTi3 tetrahedra,  a cornercorner with one O(3)LiTi3 trigonal pyramid, edges with two equivalent O(2)LiTi2Cr tetrahedra, and  an edgeedge with one O(3)LiTi3 trigonal pyramid. In the third O site, O(3) 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(2)LiTi2Cr tetrahedra, corners with three equivalent O(4)LiTi3 tetrahedra, and edges with three equivalent O(2)LiTi2Cr tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Ti(1) atoms to form distorted OLiTi3 tetrahedra that share corners with six equivalent O(2)LiTi2Cr tetrahedra and corners with three equivalent O(3)LiTi3 trigonal pyramids.