CuPb5Se4(O3Cl)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent Cl(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one Cl(2) atom. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), one Cl(2), and three equivalent Cl(1) atoms. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(1) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a T-shaped geometry to one Cu(1), one Pb(1), and one Pb(2) atom.
CuPb5Se4(O3Cl)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent Cl(2) atoms. Both Cu(1)-O(4) bond lengths are 2.02 Å. Both Cu(1)-O(5) bond lengths are 2.02 Å. Both Cu(1)-Cl(2) bond lengths are 2.80 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one Cl(2) atom. The Pb(1)-O(1) bond length is 2.70 Å. The Pb(1)-O(2) bond length is 2.55 Å. The Pb(1)-O(3) bond length is 2.56 Å. The Pb(1)-O(6) bond length is 2.49 Å. The Pb(1)-Cl(2) bond length is 3.02 Å. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), one Cl(2), and three equivalent Cl(1) atoms. There is one shorter (2.68 Å) and one longer (2.82 Å) Pb(2)-O(1) bond length. There is one shorter (2.51 Å) and one longer (2.80 Å) Pb(2)-O(3) bond length. The Pb(2)-Cl(2) bond length is 3.04 Å. There are a spread of Pb(2)-Cl(1) bond distances ranging from 2.92-3.18 Å. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Pb(3)-O(2) bond lengths are 2.70 Å. Both Pb(3)-O(4) bond lengths are 2.64 Å. Both Pb(3)-O(5) bond lengths are 2.70 Å. Both Pb(3)-O(6) bond lengths are 2.56 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. The Se(1)-O(1) bond length is 1.74 Å. The Se(1)-O(3) bond length is 1.76 Å. The Se(1)-O(6) bond length is 1.72 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. The Se(2)-O(2) bond length is 1.71 Å. The Se(2)-O(4) bond length is 1.77 Å. The Se(2)-O(5) bond length is 1.77 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(3), and one Se(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Se(1) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1), two equivalent Pb(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a T-shaped geometry to one Cu(1), one Pb(1), and one Pb(2) atom.