Cu5SeO4Cl5 crystallizes in the monoclinic P2_1 space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one Cl(2), one Cl(3), and one Cl(5) atom. In the second Cu site, Cu(2) is bonded to one O(1), one O(3), one O(4), one Cl(1), and one Cl(4) atom to form distorted corner-sharing CuCl2O3 trigonal bipyramids. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one Cl(2), and one Cl(4) atom. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the fifth Cu site, Cu(5) is bonded to one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom to form distorted corner-sharing CuCl4 trigonal pyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), one Cu(3), and two equivalent Cu(4) atoms to form corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one Se(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(5) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Cu(1) and one Cu(3) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(5) atom. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Cu(5) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Cu(1) and one Cu(5) atom.
Cu5SeO4Cl5 crystallizes in the monoclinic P2_1 space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one Cl(2), one Cl(3), and one Cl(5) atom. The Cu(1)-O(2) bond length is 2.00 Å. The Cu(1)-Cl(2) bond length is 2.35 Å. The Cu(1)-Cl(3) bond length is 2.25 Å. The Cu(1)-Cl(5) bond length is 2.30 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(3), one O(4), one Cl(1), and one Cl(4) atom to form distorted corner-sharing CuCl2O3 trigonal bipyramids. The Cu(2)-O(1) bond length is 1.99 Å. The Cu(2)-O(3) bond length is 2.14 Å. The Cu(2)-O(4) bond length is 2.15 Å. The Cu(2)-Cl(1) bond length is 2.21 Å. The Cu(2)-Cl(4) bond length is 2.44 Å. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one Cl(2), and one Cl(4) atom. The Cu(3)-O(1) bond length is 1.94 Å. The Cu(3)-O(2) bond length is 2.02 Å. The Cu(3)-Cl(2) bond length is 2.26 Å. The Cu(3)-Cl(4) bond length is 2.35 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. The Cu(4)-O(3) bond length is 1.96 Å. The Cu(4)-O(4) bond length is 1.96 Å. Both Cu(4)-O(1) bond lengths are 1.92 Å. In the fifth Cu site, Cu(5) is bonded to one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom to form distorted corner-sharing CuCl4 trigonal pyramids. The Cu(5)-Cl(1) bond length is 2.23 Å. The Cu(5)-Cl(3) bond length is 2.84 Å. The Cu(5)-Cl(4) bond length is 2.32 Å. The Cu(5)-Cl(5) bond length is 2.21 Å. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. The Se(1)-O(2) bond length is 1.76 Å. The Se(1)-O(3) bond length is 1.74 Å. The Se(1)-O(4) bond length is 1.74 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), one Cu(3), and two equivalent Cu(4) atoms to form corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one Se(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(5) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Cu(1) and one Cu(3) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(5) atom. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Cu(5) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Cu(1) and one Cu(5) atom.