Materials Data on ZrTaCo4 by Materials Project

Abstract

ZrTaCo4 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 four equivalent Ta and twelve equivalent Co atoms. All Zr–Ta bond lengths are 2.96 Å. All Zr–Co bond lengths are 2.83 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ta–Co bond lengths are 2.83 Å. Co is bonded to three equivalent Zr, three equivalent Ta, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoZr3Ta3Co6 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.42 Å) Co–Co bond lengths.