CuPO3 crystallizes in the trigonal R-3 space group. Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 150 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.
CuPO3 crystallizes in the trigonal R-3 space group. Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. The Cu(1)-O(2) bond length is 1.87 Å. The Cu(1)-O(3) bond length is 1.86 Å. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. The P(1)-O(2) bond length is 1.50 Å. The P(1)-O(3) bond length is 1.51 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P(1)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 150 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.