CuP(HO)5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form CuO5 square pyramids that share corners with three equivalent P(1)HO3 tetrahedra. P(1) is bonded to one H(5), one O(1), one O(2), and one O(3) atom to form distorted PHO3 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one P(1) atom. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one P(1), and one H(1) atom. In the third O site, O(4) is bonded in a distorted water-like geometry to one Cu(1), one H(1), and one H(2) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one P(1), and one H(2) atom.
CuP(HO)5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form CuO5 square pyramids that share corners with three equivalent P(1)HO3 tetrahedra. The Cu(1)-O(1) bond length is 1.98 Å. The Cu(1)-O(2) bond length is 1.97 Å. The Cu(1)-O(3) bond length is 2.00 Å. The Cu(1)-O(4) bond length is 2.01 Å. The Cu(1)-O(5) bond length is 2.35 Å. P(1) is bonded to one H(5), one O(1), one O(2), and one O(3) atom to form distorted PHO3 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids. The P(1)-H(5) bond length is 1.40 Å. 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. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(4) atom. The H(1)-O(3) bond length is 1.69 Å. The H(1)-O(4) bond length is 1.01 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. The H(2)-O(1) bond length is 1.64 Å. The H(2)-O(4) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. The H(3)-O(5) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. The H(4)-O(5) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one P(1) atom. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one P(1), and one H(1) atom. In the third O site, O(4) is bonded in a distorted water-like geometry to one Cu(1), one H(1), and one H(2) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one P(1), and one H(2) atom.