Au3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(2) and four equivalent B(1) atoms to form a mixture of distorted edge, corner, and face-sharing AuB4Au4 tetrahedra. In the second Au site, Au(2) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. B(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms.
Au3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(2) and four equivalent B(1) atoms to form a mixture of distorted edge, corner, and face-sharing AuB4Au4 tetrahedra. All Au(1)-Au(2) bond lengths are 2.77 Å. All Au(1)-B(1) bond lengths are 2.77 Å. In the second Au site, Au(2) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms. B(1) is bonded in a body-centered cubic geometry to eight equivalent Au(1) atoms.