CeCu6 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), three equivalent Cu(5), three equivalent Cu(6), and four equivalent Cu(1) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(5), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), and three equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to three equivalent Ce(1), one Cu(4), one Cu(5), one Cu(6), two equivalent Cu(3), and three equivalent Cu(1) atoms. In the third Cu site, Cu(3) is bonded to three equivalent Ce(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(6) atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to three equivalent Ce(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(5), and two equivalent Cu(6) atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(4), two equivalent Cu(5), and two equivalent Cu(6) atoms. In the sixth Cu site, Cu(6) is bonded to three equivalent Ce(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), and two equivalent Cu(5) atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra.
CeCu6 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), three equivalent Cu(5), three equivalent Cu(6), and four equivalent Cu(1) atoms. There are a spread of Ce(1)-Cu(2) bond distances ranging from 2.87-2.94 Å. There are a spread of Ce(1)-Cu(3) bond distances ranging from 3.14-3.25 Å. There are a spread of Ce(1)-Cu(4) bond distances ranging from 3.03-3.27 Å. There are a spread of Ce(1)-Cu(5) bond distances ranging from 2.86-2.99 Å. There are a spread of Ce(1)-Cu(6) bond distances ranging from 3.11-3.28 Å. There are a spread of Ce(1)-Cu(1) bond distances ranging from 3.07-3.37 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(5), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), and three equivalent Cu(2) atoms. The Cu(1)-Cu(5) bond length is 2.57 Å. There is one shorter (2.70 Å) and one longer (2.76 Å) Cu(1)-Cu(3) bond length. There is one shorter (2.63 Å) and one longer (2.74 Å) Cu(1)-Cu(4) bond length. There is one shorter (2.64 Å) and one longer (2.66 Å) Cu(1)-Cu(6) bond length. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.50-3.26 Å. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to three equivalent Ce(1), one Cu(4), one Cu(5), one Cu(6), two equivalent Cu(3), and three equivalent Cu(1) atoms. The Cu(2)-Cu(4) bond length is 2.53 Å. The Cu(2)-Cu(5) bond length is 2.83 Å. The Cu(2)-Cu(6) bond length is 2.45 Å. There is one shorter (2.47 Å) and one longer (2.60 Å) Cu(2)-Cu(3) bond length. In the third Cu site, Cu(3) is bonded to three equivalent Ce(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(6) atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. The Cu(3)-Cu(5) bond length is 2.50 Å. There is one shorter (2.41 Å) and one longer (2.46 Å) Cu(3)-Cu(4) bond length. There is one shorter (2.46 Å) and one longer (2.47 Å) Cu(3)-Cu(6) bond length. In the fourth Cu site, Cu(4) is bonded to three equivalent Ce(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(5), and two equivalent Cu(6) atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There is one shorter (2.46 Å) and one longer (2.54 Å) Cu(4)-Cu(5) bond length. There is one shorter (2.48 Å) and one longer (2.56 Å) Cu(4)-Cu(6) bond length. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(4), two equivalent Cu(5), and two equivalent Cu(6) atoms. There is one shorter (2.96 Å) and one longer (3.03 Å) Cu(5)-Cu(5) bond length. There is one shorter (2.42 Å) and one longer (2.55 Å) Cu(5)-Cu(6) bond length. In the sixth Cu site, Cu(6) is bonded to three equivalent Ce(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), and two equivalent Cu(5) atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra.