Materials Data on YbYAl4 by Materials Project

Abstract

YbYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Yb–Y bond lengths are 3.43 Å. All Yb–Al bond lengths are 3.28 Å. Y is bonded in a 12-coordinate geometry to four equivalent Yb and twelve equivalent Al atoms. All Y–Al bond lengths are 3.28 Å. Al is bonded to three equivalent Yb, three equivalent Y, and six equivalent Al atoms to form a mixture of edge, corner, and face-sharing AlYb3Y3Al6 cuboctahedra. All Al–Al bond lengths are 2.80 Å.