CaZn5 crystallizes in the hexagonal P6/mmm space group. Ca(1) is bonded in a 18-coordinate geometry to six equivalent Zn(2) and twelve equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ca(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of face, corner, and edge-sharing ZnCa4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Zn(1) atoms.
CaZn5 crystallizes in the hexagonal P6/mmm space group. Ca(1) is bonded in a 18-coordinate geometry to six equivalent Zn(2) and twelve equivalent Zn(1) atoms. All Ca(1)-Zn(2) bond lengths are 3.06 Å. All Ca(1)-Zn(1) bond lengths are 3.38 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ca(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of face, corner, and edge-sharing ZnCa4Zn8 cuboctahedra. All Zn(1)-Zn(1) bond lengths are 2.65 Å. All Zn(1)-Zn(2) bond lengths are 2.60 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Zn(1) atoms.