CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Zn(1) and eight equivalent Al(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Zn(1), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Ca(1), four equivalent Zn(1), and four equivalent Al(1) atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Al4Zn4 cuboctahedra.
CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Zn(1) and eight equivalent Al(1) atoms. All Ca(1)-Zn(1) bond lengths are 3.14 Å. All Ca(1)-Al(1) bond lengths are 3.50 Å. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Zn(1), and four equivalent Al(1) atoms. The Zn(1)-Zn(1) bond length is 2.46 Å. All Zn(1)-Al(1) bond lengths are 2.60 Å. Al(1) is bonded to four equivalent Ca(1), four equivalent Zn(1), and four equivalent Al(1) atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Al4Zn4 cuboctahedra. All Al(1)-Al(1) bond lengths are 2.89 Å.