ZrNbFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1) and twelve equivalent Fe(1) atoms. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to three equivalent Zr(1), three equivalent Nb(1), and six equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing FeZr3Nb3Fe6 cuboctahedra.
ZrNbFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1) and twelve equivalent Fe(1) atoms. All Zr(1)-Nb(1) bond lengths are 3.03 Å. All Zr(1)-Fe(1) bond lengths are 2.90 Å. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. All Nb(1)-Fe(1) bond lengths are 2.90 Å. Fe(1) is bonded to three equivalent Zr(1), three equivalent Nb(1), and six equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing FeZr3Nb3Fe6 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.48 Å) Fe(1)-Fe(1) bond lengths.