FeBe5 crystallizes in the cubic F-43m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent Be(2), six equivalent Be(1), and three equivalent Fe(1) atoms to form a mixture of corner, edge, and face-sharing BeBe9Fe3 cuboctahedra. In the second Be site, Be(2) is bonded in a 16-coordinate geometry to twelve equivalent Be(1) and four equivalent Fe(1) atoms. Fe(1) is bonded in a 16-coordinate geometry to four equivalent Be(2) and twelve equivalent Be(1) atoms.
FeBe5 crystallizes in the cubic F-43m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent Be(2), six equivalent Be(1), and three equivalent Fe(1) atoms to form a mixture of corner, edge, and face-sharing BeBe9Fe3 cuboctahedra. All Be(1)-Be(2) bond lengths are 2.42 Å. There are three shorter (2.05 Å) and three longer (2.08 Å) Be(1)-Be(1) bond lengths. All Be(1)-Fe(1) bond lengths are 2.42 Å. In the second Be site, Be(2) is bonded in a 16-coordinate geometry to twelve equivalent Be(1) and four equivalent Fe(1) atoms. All Be(2)-Fe(1) bond lengths are 2.53 Å. Fe(1) is bonded in a 16-coordinate geometry to four equivalent Be(2) and twelve equivalent Be(1) atoms.