Materials Data on ZrAlCo4 by Materials Project

Abstract

ZrCo4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent Al atoms. All Zr–Co bond lengths are 2.80 Å. All Zr–Al bond lengths are 2.93 Å. Co is bonded to three equivalent Zr, six equivalent Co, and three equivalent Al atoms to form a mixture of edge, corner, and face-sharing CoZr3Al3Co6 cuboctahedra. There are three shorter (2.36 Å) and three longer (2.42 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.80 Å. Al is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms.