Cu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded to eight equivalent Cu(1) and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with four equivalent Ga(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with six equivalent Ga(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra. Ga(1) is bonded to twelve equivalent Cu(1) atoms to form GaCu12 cuboctahedra that share corners with six equivalent Ga(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with eight equivalent Ga(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra.
Cu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded to eight equivalent Cu(1) and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with four equivalent Ga(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with six equivalent Ga(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra. There are a spread of Cu(1)-Cu(1) bond distances ranging from 2.56-2.60 Å. All Cu(1)-Ga(1) bond lengths are 2.58 Å. Ga(1) is bonded to twelve equivalent Cu(1) atoms to form GaCu12 cuboctahedra that share corners with six equivalent Ga(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with eight equivalent Ga(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra.