CuVO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(2) atom.
CuVO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids. The V(1)-O(1) bond length is 1.77 Å. The V(1)-O(2) bond length is 1.77 Å. The V(1)-O(4) bond length is 1.77 Å. The V(1)-O(7) bond length is 1.72 Å. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids. The V(2)-O(3) bond length is 1.70 Å. The V(2)-O(5) bond length is 1.77 Å. The V(2)-O(6) bond length is 1.88 Å. The V(2)-O(8) bond length is 1.71 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. The Cu(1)-O(1) bond length is 1.84 Å. The Cu(1)-O(3) bond length is 2.03 Å. The Cu(1)-O(5) bond length is 1.85 Å. The Cu(1)-O(6) bond length is 2.04 Å. The Cu(1)-O(7) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-O(2) bond length is 1.87 Å. The Cu(2)-O(4) bond length is 1.85 Å. The Cu(2)-O(6) bond length is 1.89 Å. The Cu(2)-O(8) bond length is 1.86 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(2) atom.