Au3Tl 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 Tl(1) atoms to form distorted AuTl4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Tl4Au8 cuboctahedra. In the second Au site, Au(2) is bonded in a square co-planar geometry to eight equivalent Au(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form TlAu12 cuboctahedra that share corners with four equivalent Tl(1)Au12 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Tl4Au8 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Tl4Au8 cuboctahedra.
Au3Tl 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 Tl(1) atoms to form distorted AuTl4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Au(1)Tl4Au8 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Tl4Au8 cuboctahedra. All Au(1)-Au(1) bond lengths are 2.97 Å. All Au(1)-Au(2) bond lengths are 3.11 Å. All Au(1)-Tl(1) bond lengths are 3.11 Å. In the second Au site, Au(2) is bonded in a square co-planar geometry to eight equivalent Au(1) and four equivalent Tl(1) atoms. All Au(2)-Tl(1) bond lengths are 2.97 Å. Tl(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form TlAu12 cuboctahedra that share corners with four equivalent Tl(1)Au12 cuboctahedra, edges with eight equivalent Tl(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Tl4Au8 cuboctahedra, faces with four equivalent Tl(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Tl4Au8 cuboctahedra.