CuPO4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted CuO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom.
CuPO4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted CuO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. The Cu(1)-O(1) bond length is 1.92 Å. The Cu(1)-O(2) bond length is 1.90 Å. The Cu(1)-O(3) bond length is 1.95 Å. The Cu(1)-O(4) bond length is 1.91 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.53 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom.