Materials Data on Be5Au by Materials Project
AuBe5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to nine Be and three equivalent Au atoms to form distorted BeBe9Au3 cuboctahedra that share corners with eighteen equivalent BeBe9Au3 cuboctahedra, corners with three equivalent BeBe12Au4 tetrahedra, edges with six equivalent BeBe9Au3 cuboctahedra, faces with eighteen equivalent BeBe9Au3 cuboctahedra, and faces with seven equivalent BeBe12Au4 tetrahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.54 Å. All Be–Au bond lengths are 2.54 Å. In the second Be site, Be is bonded to twelve equivalent Be and four equivalent Au atoms to form distorted BeBe12Au4 tetrahedra that share corners with twelve equivalent BeBe9Au3 cuboctahedra, faces with twenty-eight equivalent BeBe9Au3 cuboctahedra, and faces with twelve equivalent BeBe12Au4 tetrahedra. All Be–Au bond lengths are 2.65 Å. Au is bonded in a 12-coordinate geometry to sixteen Be atoms.