LiVOPO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form VO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom.
LiVOPO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. The Li(1)-O(1) bond length is 2.19 Å. The Li(1)-O(3) bond length is 2.23 Å. There is one shorter (1.96 Å) and one longer (2.05 Å) Li(1)-O(2) bond length. V(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form VO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. The V(1)-O(1) bond length is 2.12 Å. The V(1)-O(4) bond length is 1.87 Å. The V(1)-O(5) bond length is 1.93 Å. There is one shorter (1.75 Å) and one longer (1.89 Å) V(1)-O(3) bond length. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O5 trigonal bipyramids. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.59 Å. The P(1)-O(5) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom.