Ca5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent Cu(1) and five equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing CaCu2Pb5 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. Cu(1) is bonded to six equivalent Ca(1) atoms to form face-sharing CuCa6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms.
Ca5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent Cu(1) and five equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing CaCu2Pb5 pentagonal bipyramids. Both Ca(1)-Cu(1) bond lengths are 2.98 Å. There are a spread of Ca(1)-Pb(1) bond distances ranging from 3.29-3.68 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. All Ca(2)-Pb(1) bond lengths are 3.38 Å. Cu(1) is bonded to six equivalent Ca(1) atoms to form face-sharing CuCa6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms.