CaYbAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Yb(1) and twelve equivalent Al(1) atoms. Yb(1) is bonded in a 16-coordinate geometry to four equivalent Ca(1) and twelve equivalent Al(1) atoms. Al(1) is bonded to three equivalent Ca(1), three equivalent Yb(1), and six equivalent Al(1) atoms to form a mixture of edge, face, and corner-sharing AlCa3Yb3Al6 cuboctahedra.
CaYbAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Yb(1) and twelve equivalent Al(1) atoms. All Ca(1)-Yb(1) bond lengths are 3.44 Å. All Ca(1)-Al(1) bond lengths are 3.29 Å. Yb(1) is bonded in a 16-coordinate geometry to four equivalent Ca(1) and twelve equivalent Al(1) atoms. All Yb(1)-Al(1) bond lengths are 3.29 Å. Al(1) is bonded to three equivalent Ca(1), three equivalent Yb(1), and six equivalent Al(1) atoms to form a mixture of edge, face, and corner-sharing AlCa3Yb3Al6 cuboctahedra. There are three shorter (2.80 Å) and three longer (2.81 Å) Al(1)-Al(1) bond lengths.