Cu3As is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to eight equivalent Cu(2) and four equivalent As(1) atoms to form distorted CuCu8As4 cuboctahedra that share corners with two equivalent Cu(1)Cu8As4 cuboctahedra, corners with eight equivalent Cu(2)Cu8As4 cuboctahedra, corners with eight equivalent As(1)Cu12 cuboctahedra, edges with six equivalent Cu(1)Cu8As4 cuboctahedra, edges with twelve equivalent Cu(2)Cu8As4 cuboctahedra, faces with six equivalent Cu(1)Cu8As4 cuboctahedra, faces with six equivalent As(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(2)Cu8As4 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent As(1) atoms to form distorted CuCu8As4 cuboctahedra that share corners with four equivalent Cu(1)Cu8As4 cuboctahedra, corners with four equivalent As(1)Cu12 cuboctahedra, corners with ten equivalent Cu(2)Cu8As4 cuboctahedra, edges with six equivalent Cu(1)Cu8As4 cuboctahedra, edges with six equivalent Cu(2)Cu8As4 cuboctahedra, edges with six equivalent As(1)Cu12 cuboctahedra, faces with four equivalent Cu(1)Cu8As4 cuboctahedra, faces with four equivalent As(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(2)Cu8As4 cuboctahedra. As(1) is bonded to four equivalent Cu(1) and eight equivalent Cu(2) atoms to form AsCu12 cuboctahedra that share corners with two equivalent As(1)Cu12 cuboctahedra, corners with eight equivalent Cu(1)Cu8As4 cuboctahedra, corners with eight equivalent Cu(2)Cu8As4 cuboctahedra, edges with six equivalent As(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(2)Cu8As4 cuboctahedra, faces with six equivalent Cu(1)Cu8As4 cuboctahedra, faces with six equivalent As(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(2)Cu8As4 cuboctahedra.
Cu3As is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to eight equivalent Cu(2) and four equivalent As(1) atoms to form distorted CuCu8As4 cuboctahedra that share corners with two equivalent Cu(1)Cu8As4 cuboctahedra, corners with eight equivalent Cu(2)Cu8As4 cuboctahedra, corners with eight equivalent As(1)Cu12 cuboctahedra, edges with six equivalent Cu(1)Cu8As4 cuboctahedra, edges with twelve equivalent Cu(2)Cu8As4 cuboctahedra, faces with six equivalent Cu(1)Cu8As4 cuboctahedra, faces with six equivalent As(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(2)Cu8As4 cuboctahedra. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.60-2.71 Å. There are two shorter (2.60 Å) and two longer (2.64 Å) Cu(1)-As(1) bond lengths. In the second Cu site, Cu(2) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent As(1) atoms to form distorted CuCu8As4 cuboctahedra that share corners with four equivalent Cu(1)Cu8As4 cuboctahedra, corners with four equivalent As(1)Cu12 cuboctahedra, corners with ten equivalent Cu(2)Cu8As4 cuboctahedra, edges with six equivalent Cu(1)Cu8As4 cuboctahedra, edges with six equivalent Cu(2)Cu8As4 cuboctahedra, edges with six equivalent As(1)Cu12 cuboctahedra, faces with four equivalent Cu(1)Cu8As4 cuboctahedra, faces with four equivalent As(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(2)Cu8As4 cuboctahedra. There are a spread of Cu(2)-Cu(2) bond distances ranging from 2.55-2.64 Å. There are a spread of Cu(2)-As(1) bond distances ranging from 2.58-2.76 Å. As(1) is bonded to four equivalent Cu(1) and eight equivalent Cu(2) atoms to form AsCu12 cuboctahedra that share corners with two equivalent As(1)Cu12 cuboctahedra, corners with eight equivalent Cu(1)Cu8As4 cuboctahedra, corners with eight equivalent Cu(2)Cu8As4 cuboctahedra, edges with six equivalent As(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(2)Cu8As4 cuboctahedra, faces with six equivalent Cu(1)Cu8As4 cuboctahedra, faces with six equivalent As(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(2)Cu8As4 cuboctahedra.