CaCu5 crystallizes in the hexagonal P6/mmm space group. Ca(1) is bonded in a 18-coordinate geometry to six equivalent Cu(1) and twelve equivalent Cu(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Ca(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuCa4Cu8 cuboctahedra.
CaCu5 crystallizes in the hexagonal P6/mmm space group. Ca(1) is bonded in a 18-coordinate geometry to six equivalent Cu(1) and twelve equivalent Cu(2) atoms. All Ca(1)-Cu(1) bond lengths are 2.91 Å. All Ca(1)-Cu(2) bond lengths are 3.22 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Cu(2) atoms. All Cu(1)-Cu(2) bond lengths are 2.48 Å. In the second Cu site, Cu(2) is bonded to four equivalent Ca(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuCa4Cu8 cuboctahedra. All Cu(2)-Cu(2) bond lengths are 2.52 Å.