CeCu6 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(4), three equivalent Cu(5), four equivalent Cu(3), and six equivalent Cu(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to three equivalent Ce(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(1), two equivalent Cu(4), three equivalent Cu(5), and four equivalent Cu(2) atoms. In the fourth Cu site, Cu(4) is bonded to three equivalent Ce(1), one Cu(1), two equivalent Cu(3), two equivalent Cu(5), and four equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and three equivalent Cu(3) atoms.
CeCu6 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(4), three equivalent Cu(5), four equivalent Cu(3), and six equivalent Cu(2) atoms. There are two shorter (2.87 Å) and one longer (3.01 Å) Ce(1)-Cu(1) bond length. There is one shorter (3.15 Å) and two longer (3.23 Å) Ce(1)-Cu(4) bond lengths. There are two shorter (2.91 Å) and one longer (2.92 Å) Ce(1)-Cu(5) bond length. There are a spread of Ce(1)-Cu(3) bond distances ranging from 3.09-3.36 Å. There are a spread of Ce(1)-Cu(2) bond distances ranging from 3.09-3.29 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(1), and four equivalent Cu(2) atoms. The Cu(1)-Cu(3) bond length is 2.60 Å. The Cu(1)-Cu(4) bond length is 2.52 Å. The Cu(1)-Cu(5) bond length is 2.84 Å. Both Cu(1)-Cu(1) bond lengths are 3.00 Å. There are two shorter (2.44 Å) and two longer (2.56 Å) Cu(1)-Cu(2) bond lengths. In the second Cu site, Cu(2) is bonded to three equivalent Ce(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. The Cu(2)-Cu(5) bond length is 2.51 Å. There is one shorter (2.46 Å) and one longer (2.56 Å) Cu(2)-Cu(2) bond length. Both Cu(2)-Cu(3) bond lengths are 2.68 Å. There is one shorter (2.46 Å) and one longer (2.47 Å) Cu(2)-Cu(4) bond length. In the third Cu site, Cu(3) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(1), two equivalent Cu(4), three equivalent Cu(5), and four equivalent Cu(2) atoms. Both Cu(3)-Cu(4) bond lengths are 2.73 Å. There is one shorter (2.50 Å) and two longer (3.06 Å) Cu(3)-Cu(5) bond lengths. In the fourth Cu site, Cu(4) is bonded to three equivalent Ce(1), one Cu(1), two equivalent Cu(3), two equivalent Cu(5), and four equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. There is one shorter (2.48 Å) and one longer (2.63 Å) Cu(4)-Cu(5) bond length. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and three equivalent Cu(3) atoms.