LiTiV3O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. Ti(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form TiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ti(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one V(2) atom.
LiTiV3O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. Both Li(1)-O(2) bond lengths are 2.48 Å. Both Li(1)-O(3) bond lengths are 2.06 Å. Both Li(1)-O(4) bond lengths are 2.03 Å. Ti(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form TiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Both Ti(1)-O(4) bond lengths are 1.84 Å. Both Ti(1)-O(5) bond lengths are 1.83 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. Both V(1)-O(1) bond lengths are 1.74 Å. Both V(1)-O(3) bond lengths are 1.75 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. The V(2)-O(1) bond length is 1.91 Å. The V(2)-O(2) bond length is 1.64 Å. The V(2)-O(3) bond length is 1.99 Å. The V(2)-O(4) bond length is 1.90 Å. The V(2)-O(5) bond length is 1.82 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ti(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one V(2) atom.