Li2TiCo3O8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. Ti(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Co(1), and one Co(2) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Co(1), and one Co(3) atom. In the third O site, O(2) is bonded to one Li(1), one Ti(1), one Co(1), and one Co(2) atom to form distorted OLiTiCo2 tetrahedra that share  a cornercorner with one O(6)LiTiCo2 tetrahedra,  a cornercorner with one O(7)LiTiCo2 tetrahedra, corners with two equivalent O(4)LiCo3 tetrahedra,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  an edgeedge with one O(6)LiTiCo2 tetrahedra,  an edgeedge with one O(7)LiTiCo2 tetrahedra, and  an edgeedge with one O(3)LiCo3 trigonal pyramid. In the fourth O site, O(3) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted OLiCo3 trigonal pyramids that share  a cornercorner with one O(2)LiTiCo2 tetrahedra,  a cornercorner with one O(6)LiTiCo2 tetrahedra,  a cornercorner with one O(7)LiTiCo2 tetrahedra, corners with three equivalent O(4)LiCo3 tetrahedra,  an edgeedge with one O(2)LiTiCo2 tetrahedra,  an edgeedge with one O(6)LiTiCo2 tetrahedra, and  an edgeedge with one O(7)LiTiCo2 tetrahedra. In the fifth O site, O(4) is bonded to one Li(2), one Co(1), one Co(2), and one Co(3) atom to form OLiCo3 tetrahedra that share corners with two equivalent O(2)LiTiCo2 tetrahedra, corners with two equivalent O(6)LiTiCo2 tetrahedra, corners with two equivalent O(7)LiTiCo2 tetrahedra, and corners with three equivalent O(3)LiCo3 trigonal pyramids. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Co(2), and one Co(3) atom. In the seventh O site, O(6) is bonded to one Li(1), one Ti(1), one Co(1), and one Co(3) atom to form distorted OLiTiCo2 tetrahedra that share  a cornercorner with one O(2)LiTiCo2 tetrahedra,  a cornercorner with one O(7)LiTiCo2 tetrahedra, corners with two equivalent O(4)LiCo3 tetrahedra,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  an edgeedge with one O(2)LiTiCo2 tetrahedra,  an edgeedge with one O(7)LiTiCo2 tetrahedra, and  an edgeedge with one O(3)LiCo3 trigonal pyramid. In the eighth O site, O(7) is bonded to one Li(1), one Ti(1), one Co(2), and one Co(3) atom to form distorted OLiTiCo2 tetrahedra that share  a cornercorner with one O(2)LiTiCo2 tetrahedra,  a cornercorner with one O(6)LiTiCo2 tetrahedra, corners with two equivalent O(4)LiCo3 tetrahedra,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  an edgeedge with one O(2)LiTiCo2 tetrahedra,  an edgeedge with one O(6)LiTiCo2 tetrahedra, and  an edgeedge with one O(3)LiCo3 trigonal pyramid.
Li2TiCo3O8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. The Li(1)-O(2) bond length is 1.91 Å. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(6) bond length is 1.91 Å. The Li(1)-O(7) bond length is 1.90 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. The Li(2)-O(1) bond length is 1.89 Å. The Li(2)-O(4) bond length is 1.76 Å. The Li(2)-O(5) bond length is 1.89 Å. The Li(2)-O(8) bond length is 1.89 Å. Ti(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Ti(1)-O(1) bond length is 1.95 Å. The Ti(1)-O(2) bond length is 2.09 Å. The Ti(1)-O(5) bond length is 1.87 Å. The Ti(1)-O(6) bond length is 2.11 Å. The Ti(1)-O(7) bond length is 2.05 Å. The Ti(1)-O(8) bond length is 1.92 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(2) bond length is 1.89 Å. The Co(1)-O(3) bond length is 1.87 Å. The Co(1)-O(4) bond length is 1.88 Å. The Co(1)-O(6) bond length is 1.89 Å. The Co(1)-O(8) bond length is 1.97 Å. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The Co(2)-O(2) bond length is 1.91 Å. The Co(2)-O(3) bond length is 1.89 Å. The Co(2)-O(4) bond length is 1.89 Å. The Co(2)-O(5) bond length is 1.98 Å. The Co(2)-O(7) bond length is 1.91 Å. The Co(2)-O(8) bond length is 1.97 Å. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. The Co(3)-O(1) bond length is 1.97 Å. The Co(3)-O(3) bond length is 1.89 Å. The Co(3)-O(4) bond length is 1.89 Å. The Co(3)-O(5) bond length is 1.99 Å. The Co(3)-O(6) bond length is 1.91 Å. The Co(3)-O(7) bond length is 1.90 Å. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Co(1), and one Co(2) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Co(1), and one Co(3) atom. In the third O site, O(2) is bonded to one Li(1), one Ti(1), one Co(1), and one Co(2) atom to form distorted OLiTiCo2 tetrahedra that share  a cornercorner with one O(6)LiTiCo2 tetrahedra,  a cornercorner with one O(7)LiTiCo2 tetrahedra, corners with two equivalent O(4)LiCo3 tetrahedra,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  an edgeedge with one O(6)LiTiCo2 tetrahedra,  an edgeedge with one O(7)LiTiCo2 tetrahedra, and  an edgeedge with one O(3)LiCo3 trigonal pyramid. In the fourth O site, O(3) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted OLiCo3 trigonal pyramids that share  a cornercorner with one O(2)LiTiCo2 tetrahedra,  a cornercorner with one O(6)LiTiCo2 tetrahedra,  a cornercorner with one O(7)LiTiCo2 tetrahedra, corners with three equivalent O(4)LiCo3 tetrahedra,  an edgeedge with one O(2)LiTiCo2 tetrahedra,  an edgeedge with one O(6)LiTiCo2 tetrahedra, and  an edgeedge with one O(7)LiTiCo2 tetrahedra. In the fifth O site, O(4) is bonded to one Li(2), one Co(1), one Co(2), and one Co(3) atom to form OLiCo3 tetrahedra that share corners with two equivalent O(2)LiTiCo2 tetrahedra, corners with two equivalent O(6)LiTiCo2 tetrahedra, corners with two equivalent O(7)LiTiCo2 tetrahedra, and corners with three equivalent O(3)LiCo3 trigonal pyramids. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Co(2), and one Co(3) atom. In the seventh O site, O(6) is bonded to one Li(1), one Ti(1), one Co(1), and one Co(3) atom to form distorted OLiTiCo2 tetrahedra that share  a cornercorner with one O(2)LiTiCo2 tetrahedra,  a cornercorner with one O(7)LiTiCo2 tetrahedra, corners with two equivalent O(4)LiCo3 tetrahedra,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  an edgeedge with one O(2)LiTiCo2 tetrahedra,  an edgeedge with one O(7)LiTiCo2 tetrahedra, and  an edgeedge with one O(3)LiCo3 trigonal pyramid. In the eighth O site, O(7) is bonded to one Li(1), one Ti(1), one Co(2), and one Co(3) atom to form distorted OLiTiCo2 tetrahedra that share  a cornercorner with one O(2)LiTiCo2 tetrahedra,  a cornercorner with one O(6)LiTiCo2 tetrahedra, corners with two equivalent O(4)LiCo3 tetrahedra,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  an edgeedge with one O(2)LiTiCo2 tetrahedra,  an edgeedge with one O(6)LiTiCo2 tetrahedra, and  an edgeedge with one O(3)LiCo3 trigonal pyramid.