ZrFe4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to twelve equivalent Fe(1) and four equivalent Al(1) atoms. Fe(1) is bonded to three equivalent Zr(1), six equivalent Fe(1), and three equivalent Al(1) atoms to form a mixture of face, corner, and edge-sharing FeZr3Al3Fe6 cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms.
ZrFe4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to twelve equivalent Fe(1) and four equivalent Al(1) atoms. All Zr(1)-Fe(1) bond lengths are 2.85 Å. All Zr(1)-Al(1) bond lengths are 2.97 Å. Fe(1) is bonded to three equivalent Zr(1), six equivalent Fe(1), and three equivalent Al(1) atoms to form a mixture of face, corner, and edge-sharing FeZr3Al3Fe6 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.44 Å) Fe(1)-Fe(1) bond lengths. All Fe(1)-Al(1) bond lengths are 2.85 Å. Al(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms.