Materials Data on ZrUAl4 by Materials Project

Abstract

UZrAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Al atoms. All U–Zr bond lengths are 3.33 Å. All U–Al bond lengths are 3.19 Å. Zr is bonded in a 12-coordinate geometry to four equivalent U and twelve equivalent Al atoms. All Zr–Al bond lengths are 3.19 Å. Al is bonded to three equivalent U, three equivalent Zr, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlZr3U3Al6 cuboctahedra. All Al–Al bond lengths are 2.72 Å.