Au3Sb is beta Cu3Ti-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 Sb(1) atoms to form distorted AuSb4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Sb4Au8 cuboctahedra, edges with eight equivalent Au(1)Sb4Au8 cuboctahedra, edges with eight equivalent Au(2)Sb4Au8 cuboctahedra, edges with eight equivalent Sb(1)Au12 cuboctahedra, faces with four equivalent Au(2)Sb4Au8 cuboctahedra, faces with four equivalent Sb(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Sb4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to eight equivalent Au(1) and four equivalent Sb(1) atoms to form distorted AuSb4Au8 cuboctahedra that share corners with four equivalent Au(2)Sb4Au8 cuboctahedra, corners with eight equivalent Sb(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Sb4Au8 cuboctahedra, edges with sixteen equivalent Au(1)Sb4Au8 cuboctahedra, faces with four equivalent Au(2)Sb4Au8 cuboctahedra, faces with six equivalent Sb(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Sb4Au8 cuboctahedra. Sb(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form SbAu12 cuboctahedra that share corners with four equivalent Sb(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Sb4Au8 cuboctahedra, edges with eight equivalent Sb(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Sb4Au8 cuboctahedra, faces with four equivalent Sb(1)Au12 cuboctahedra, faces with six equivalent Au(2)Sb4Au8 cuboctahedra, and faces with eight equivalent Au(1)Sb4Au8 cuboctahedra.
Au3Sb is beta Cu3Ti-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 Sb(1) atoms to form distorted AuSb4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Sb4Au8 cuboctahedra, edges with eight equivalent Au(1)Sb4Au8 cuboctahedra, edges with eight equivalent Au(2)Sb4Au8 cuboctahedra, edges with eight equivalent Sb(1)Au12 cuboctahedra, faces with four equivalent Au(2)Sb4Au8 cuboctahedra, faces with four equivalent Sb(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Sb4Au8 cuboctahedra. All Au(1)-Au(1) bond lengths are 3.03 Å. All Au(1)-Au(2) bond lengths are 3.06 Å. All Au(1)-Sb(1) bond lengths are 3.06 Å. In the second Au site, Au(2) is bonded to eight equivalent Au(1) and four equivalent Sb(1) atoms to form distorted AuSb4Au8 cuboctahedra that share corners with four equivalent Au(2)Sb4Au8 cuboctahedra, corners with eight equivalent Sb(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Sb4Au8 cuboctahedra, edges with sixteen equivalent Au(1)Sb4Au8 cuboctahedra, faces with four equivalent Au(2)Sb4Au8 cuboctahedra, faces with six equivalent Sb(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Sb4Au8 cuboctahedra. All Au(2)-Sb(1) bond lengths are 3.03 Å. Sb(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form SbAu12 cuboctahedra that share corners with four equivalent Sb(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Sb4Au8 cuboctahedra, edges with eight equivalent Sb(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Sb4Au8 cuboctahedra, faces with four equivalent Sb(1)Au12 cuboctahedra, faces with six equivalent Au(2)Sb4Au8 cuboctahedra, and faces with eight equivalent Au(1)Sb4Au8 cuboctahedra.