Li2TiVO5 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ti(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2TiV tetrahedra.
Li2TiVO5 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. All Li(1)-O(2) bond lengths are 2.08 Å. Ti(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. All Ti(1)-O(2) bond lengths are 1.83 Å. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The V(1)-O(1) bond length is 1.69 Å. All V(1)-O(2) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2TiV tetrahedra.