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AuB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Au is bonded to twelve equivalent B atoms to form a mixture of distorted edge and face-sharing AuB12 cuboctahedra. All Au–B bond lengths are 2.74 Å. B is bonded in a distorted trigonal planar geometry to six equivalent Au and three equivalent B atoms. All B–B bond lengths are 1.74 Å.
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.
Be12Au crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Au atoms to form a mixture of face, edge, and corner-sharing BeBe10Au2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.12–2.25 Å. Both Be–Au bond lengths are 2.80 Å. In the second Be site, Be is bonded to ten Be and two equivalent Au atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10Au2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.22–2.44 Å. Both Be–Au bond lengths are 2.75 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Au atom. The Be–Be bond length is 2.18 Å. The Be–Au bond length is 2.57 Å. Au is bonded in a 4-coordinate geometry to twenty Be atoms.
BeAu2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BeAu2 sheets oriented in the (0, 0, 1) direction. Be2+ is bonded in a body-centered cubic geometry to eight equivalent Au1- atoms. All Be–Au bond lengths are 2.53 Å. Au1- is bonded in a 4-coordinate geometry to four equivalent Be2+ atoms.
AuBe is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Be is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are four shorter (2.52 Å) and three longer (2.54 Å) Be–Au bond lengths. Au is bonded in a 7-coordinate geometry to seven equivalent Be atoms.
BeAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to twelve equivalent Au atoms to form a mixture of corner and face-sharing BeAu12 cuboctahedra. All Be–Au bond lengths are 2.84 Å. Au is bonded in a distorted square co-planar geometry to four equivalent Be atoms.