Materials Data on ZrCu4Ag by Materials Project

Abstract

AgCu4Zr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Zr–Ag bond lengths are 3.03 Å. All Zr–Cu bond lengths are 2.90 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 2.90 Å. Cu is bonded to three equivalent Zr, three equivalent Ag, and six equivalent Cu atoms to form a mixture of corner, edge, and face-sharing CuZr3Cu6Ag3 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.49 Å) Cu–Cu bond lengths.