YZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Y(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to three equivalent Y(1), three equivalent Zr(1), and six equivalent Fe(1) atoms to form a mixture of face, corner, and edge-sharing FeY3Zr3Fe6 cuboctahedra.
YZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. All Y(1)-Zr(1) bond lengths are 3.13 Å. All Y(1)-Fe(1) bond lengths are 3.00 Å. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Y(1) and twelve equivalent Fe(1) atoms. All Zr(1)-Fe(1) bond lengths are 3.00 Å. Fe(1) is bonded to three equivalent Y(1), three equivalent Zr(1), and six equivalent Fe(1) atoms to form a mixture of face, corner, and edge-sharing FeY3Zr3Fe6 cuboctahedra. There are three shorter (2.55 Å) and three longer (2.56 Å) Fe(1)-Fe(1) bond lengths.