Cu(PO3)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(15), one O(17), one O(5), and one O(8) atom to form distorted CuO5 square pyramids that share  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(13), one O(18), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(14), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the third P site, P(3) is bonded to one O(17), one O(4), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(10), one O(13), one O(16), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(10), one O(15), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one P(5) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(6) atom.
Cu(PO3)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(15), one O(17), one O(5), and one O(8) atom to form distorted CuO5 square pyramids that share  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Cu(1)-O(14) bond length is 1.92 Å. The Cu(1)-O(15) bond length is 2.24 Å. The Cu(1)-O(17) bond length is 1.92 Å. The Cu(1)-O(5) bond length is 1.92 Å. The Cu(1)-O(8) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(13), one O(18), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Cu(2)-O(1) bond length is 1.89 Å. The Cu(2)-O(12) bond length is 2.22 Å. The Cu(2)-O(13) bond length is 1.91 Å. The Cu(2)-O(18) bond length is 1.92 Å. The Cu(2)-O(7) bond length is 2.03 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Cu(2)O5 trigonal bipyramids. The P(1)-O(12) bond length is 1.48 Å. The P(1)-O(2) bond length is 1.61 Å. The P(1)-O(3) bond length is 1.62 Å. The P(1)-O(7) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(14), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The P(2)-O(14) bond length is 1.51 Å. The P(2)-O(2) bond length is 1.60 Å. The P(2)-O(5) bond length is 1.50 Å. The P(2)-O(6) bond length is 1.60 Å. In the third P site, P(3) is bonded to one O(17), one O(4), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The P(3)-O(17) bond length is 1.51 Å. The P(3)-O(4) bond length is 1.59 Å. The P(3)-O(8) bond length is 1.52 Å. The P(3)-O(9) bond length is 1.59 Å. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The P(4)-O(1) bond length is 1.53 Å. The P(4)-O(11) bond length is 1.47 Å. The P(4)-O(3) bond length is 1.61 Å. The P(4)-O(4) bond length is 1.63 Å. In the fifth P site, P(5) is bonded to one O(10), one O(13), one O(16), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The P(5)-O(10) bond length is 1.62 Å. The P(5)-O(13) bond length is 1.52 Å. The P(5)-O(16) bond length is 1.48 Å. The P(5)-O(6) bond length is 1.63 Å. In the sixth P site, P(6) is bonded to one O(10), one O(15), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The P(6)-O(10) bond length is 1.62 Å. The P(6)-O(15) bond length is 1.48 Å. The P(6)-O(18) bond length is 1.52 Å. The P(6)-O(9) bond length is 1.62 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(5) and one P(6) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one P(5) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(6) atom.