CuPb2PSO9 crystallizes in the monoclinic P2_1/m space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form distorted CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(4) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. S(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), one Pb(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Pb(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Pb(2) atom.
CuPb2PSO9 crystallizes in the monoclinic P2_1/m space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form distorted CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. Both Cu(1)-O(1) bond lengths are 1.90 Å. Both Cu(1)-O(6) bond lengths are 2.53 Å. Both Cu(1)-O(7) bond lengths are 1.82 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Pb(1)-O(2) bond length is 2.49 Å. The Pb(1)-O(5) bond length is 2.78 Å. The Pb(1)-O(6) bond length is 2.74 Å. Both Pb(1)-O(1) bond lengths are 2.90 Å. Both Pb(1)-O(4) bond lengths are 2.60 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(4) atoms. The Pb(2)-O(3) bond length is 2.64 Å. The Pb(2)-O(7) bond length is 2.41 Å. Both Pb(2)-O(1) bond lengths are 2.73 Å. Both Pb(2)-O(4) bond lengths are 2.78 Å. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.52 Å. Both P(1)-O(1) bond lengths are 1.59 Å. S(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. The S(1)-O(5) bond length is 1.47 Å. The S(1)-O(6) bond length is 1.49 Å. Both S(1)-O(4) bond lengths are 1.52 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), one Pb(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Pb(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Pb(2) atom.