AuGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form AuGa12 cuboctahedra that share corners with four equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Au(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, faces with four equivalent Au(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Au4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Au(1) and four equivalent Ga(2) atoms to form distorted GaGa4Au4 cuboctahedra that share corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(1)Ga4Au4 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, edges with four equivalent Au(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Ga8Au4 cuboctahedra, edges with twelve equivalent Ga(1)Ga4Au4 cuboctahedra, and faces with six equivalent Ga(1)Ga4Au4 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Au(1) and eight equivalent Ga(1) atoms to form distorted GaGa8Au4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Au4 cuboctahedra, corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(2)Ga8Au4 cuboctahedra, faces with four equivalent Ga(2)Ga8Au4 cuboctahedra, and faces with six equivalent Au(1)Ga12 cuboctahedra.
AuGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form AuGa12 cuboctahedra that share corners with four equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Au(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, faces with four equivalent Au(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Au4 cuboctahedra. All Au(1)-Ga(2) bond lengths are 3.00 Å. All Au(1)-Ga(1) bond lengths are 2.95 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Au(1) and four equivalent Ga(2) atoms to form distorted GaGa4Au4 cuboctahedra that share corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(1)Ga4Au4 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, edges with four equivalent Au(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Ga8Au4 cuboctahedra, edges with twelve equivalent Ga(1)Ga4Au4 cuboctahedra, and faces with six equivalent Ga(1)Ga4Au4 cuboctahedra. All Ga(1)-Ga(2) bond lengths are 2.95 Å. In the second Ga site, Ga(2) is bonded to four equivalent Au(1) and eight equivalent Ga(1) atoms to form distorted GaGa8Au4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Au4 cuboctahedra, corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(2)Ga8Au4 cuboctahedra, faces with four equivalent Ga(2)Ga8Au4 cuboctahedra, and faces with six equivalent Au(1)Ga12 cuboctahedra.