Au3Cl 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 Cl(1) atoms to form distorted AuAu8Cl4 cuboctahedra that share corners with twelve equivalent Au(1)Au8Cl4 cuboctahedra, edges with eight equivalent Au(1)Au8Cl4 cuboctahedra, edges with eight equivalent Au(2)Au8Cl4 cuboctahedra, edges with eight equivalent Cl(1)Au12 cuboctahedra, faces with four equivalent Au(2)Au8Cl4 cuboctahedra, faces with four equivalent Cl(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Au8Cl4 cuboctahedra. In the second Au site, Au(2) is bonded to eight equivalent Au(1) and four equivalent Cl(1) atoms to form distorted AuAu8Cl4 cuboctahedra that share corners with four equivalent Au(2)Au8Cl4 cuboctahedra, corners with eight equivalent Cl(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Au8Cl4 cuboctahedra, edges with sixteen equivalent Au(1)Au8Cl4 cuboctahedra, faces with four equivalent Au(2)Au8Cl4 cuboctahedra, faces with six equivalent Cl(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Au8Cl4 cuboctahedra. Cl(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form ClAu12 cuboctahedra that share corners with four equivalent Cl(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Au8Cl4 cuboctahedra, edges with eight equivalent Cl(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Au8Cl4 cuboctahedra, faces with four equivalent Cl(1)Au12 cuboctahedra, faces with six equivalent Au(2)Au8Cl4 cuboctahedra, and faces with eight equivalent Au(1)Au8Cl4 cuboctahedra.
Au3Cl 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 Cl(1) atoms to form distorted AuAu8Cl4 cuboctahedra that share corners with twelve equivalent Au(1)Au8Cl4 cuboctahedra, edges with eight equivalent Au(1)Au8Cl4 cuboctahedra, edges with eight equivalent Au(2)Au8Cl4 cuboctahedra, edges with eight equivalent Cl(1)Au12 cuboctahedra, faces with four equivalent Au(2)Au8Cl4 cuboctahedra, faces with four equivalent Cl(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Au8Cl4 cuboctahedra. All Au(1)-Au(1) bond lengths are 3.01 Å. All Au(1)-Au(2) bond lengths are 2.99 Å. All Au(1)-Cl(1) bond lengths are 2.99 Å. In the second Au site, Au(2) is bonded to eight equivalent Au(1) and four equivalent Cl(1) atoms to form distorted AuAu8Cl4 cuboctahedra that share corners with four equivalent Au(2)Au8Cl4 cuboctahedra, corners with eight equivalent Cl(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Au8Cl4 cuboctahedra, edges with sixteen equivalent Au(1)Au8Cl4 cuboctahedra, faces with four equivalent Au(2)Au8Cl4 cuboctahedra, faces with six equivalent Cl(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Au8Cl4 cuboctahedra. All Au(2)-Cl(1) bond lengths are 3.01 Å. Cl(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form ClAu12 cuboctahedra that share corners with four equivalent Cl(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Au8Cl4 cuboctahedra, edges with eight equivalent Cl(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Au8Cl4 cuboctahedra, faces with four equivalent Cl(1)Au12 cuboctahedra, faces with six equivalent Au(2)Au8Cl4 cuboctahedra, and faces with eight equivalent Au(1)Au8Cl4 cuboctahedra.