Au3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent Br(1) atoms to form distorted AuAu8Br4 cuboctahedra that share corners with twelve equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Au8Br4 cuboctahedra. In the second Au site, Au(2) is bonded in a distorted square co-planar geometry to eight equivalent Au(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form BrAu12 cuboctahedra that share corners with four equivalent Br(1)Au12 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Au8Br4 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Au8Br4 cuboctahedra.
Au3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent Br(1) atoms to form distorted AuAu8Br4 cuboctahedra that share corners with twelve equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Au8Br4 cuboctahedra. All Au(1)-Au(1) bond lengths are 2.97 Å. All Au(1)-Au(2) bond lengths are 3.07 Å. All Au(1)-Br(1) bond lengths are 3.07 Å. In the second Au site, Au(2) is bonded in a distorted square co-planar geometry to eight equivalent Au(1) and four equivalent Br(1) atoms. All Au(2)-Br(1) bond lengths are 2.97 Å. Br(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form BrAu12 cuboctahedra that share corners with four equivalent Br(1)Au12 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Au8Br4 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Au8Br4 cuboctahedra.