Materials Data on Y2CrH6 by Materials Project

Abstract

Y2CrH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent H atoms to form YH12 cuboctahedra that share corners with twelve equivalent YH12 cuboctahedra, faces with six equivalent YH12 cuboctahedra, and faces with four equivalent CrH6 octahedra. All Y–H bond lengths are 2.47 Å. Cr is bonded to six equivalent H atoms to form CrH6 octahedra that share faces with eight equivalent YH12 cuboctahedra. All Cr–H bond lengths are 1.72 Å. H is bonded to four equivalent Y and one Cr atom to form a mixture of distorted edge, corner, and face-sharing HY4Cr square pyramids.