LiTiVO5 crystallizes in the orthorhombic Cmme space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ti(1) is bonded to four equivalent O(1) atoms to form TiO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent Ti(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom.
LiTiVO5 crystallizes in the orthorhombic Cmme space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.05 Å. Ti(1) is bonded to four equivalent O(1) atoms to form TiO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. All Ti(1)-O(1) bond lengths are 1.83 Å. V(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent Ti(1)O4 tetrahedra. The V(1)-O(2) bond length is 1.64 Å. All V(1)-O(1) bond lengths are 1.90 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom.