LiVOPO4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-67°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom.
LiVOPO4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-67°. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(3) bond length is 1.89 Å. Both Li(1)-O(4) bond lengths are 2.10 Å. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. Both V(1)-O(1) bond lengths are 1.86 Å. Both V(1)-O(2) bond lengths are 2.13 Å. Both V(1)-O(4) bond lengths are 1.98 Å. P(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. The P(1)-O(2) bond length is 1.61 Å. The P(1)-O(3) bond length is 1.48 Å. Both P(1)-O(4) bond lengths are 1.59 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom.