Cu3Ti is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Ti(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form TiCu12 cuboctahedra that share corners with two equivalent Ti(1)Cu12 cuboctahedra, corners with eight equivalent Cu(1)Ti4Cu8 cuboctahedra, corners with eight equivalent Cu(2)Ti4Cu8 cuboctahedra, edges with six equivalent Ti(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Ti4Cu8 cuboctahedra, faces with six equivalent Ti(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Ti4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Ti4Cu8 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Ti(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form distorted CuTi4Cu8 cuboctahedra that share corners with four equivalent Ti(1)Cu12 cuboctahedra, corners with four equivalent Cu(2)Ti4Cu8 cuboctahedra, corners with ten equivalent Cu(1)Ti4Cu8 cuboctahedra, edges with six equivalent Ti(1)Cu12 cuboctahedra, edges with six equivalent Cu(1)Ti4Cu8 cuboctahedra, edges with six equivalent Cu(2)Ti4Cu8 cuboctahedra, faces with four equivalent Ti(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Ti4Cu8 cuboctahedra, and faces with twelve equivalent Cu(1)Ti4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Ti(1) and eight equivalent Cu(1) atoms to form distorted CuTi4Cu8 cuboctahedra that share corners with two equivalent Cu(2)Ti4Cu8 cuboctahedra, corners with eight equivalent Ti(1)Cu12 cuboctahedra, corners with eight equivalent Cu(1)Ti4Cu8 cuboctahedra, edges with six equivalent Cu(2)Ti4Cu8 cuboctahedra, edges with twelve equivalent Cu(1)Ti4Cu8 cuboctahedra, faces with six equivalent Ti(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Ti4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Ti4Cu8 cuboctahedra.
Cu3Ti is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Ti(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form TiCu12 cuboctahedra that share corners with two equivalent Ti(1)Cu12 cuboctahedra, corners with eight equivalent Cu(1)Ti4Cu8 cuboctahedra, corners with eight equivalent Cu(2)Ti4Cu8 cuboctahedra, edges with six equivalent Ti(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Ti4Cu8 cuboctahedra, faces with six equivalent Ti(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Ti4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Ti4Cu8 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.69 Å) Ti(1)-Cu(2) bond lengths. There are a spread of Ti(1)-Cu(1) bond distances ranging from 2.55-2.63 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Ti(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form distorted CuTi4Cu8 cuboctahedra that share corners with four equivalent Ti(1)Cu12 cuboctahedra, corners with four equivalent Cu(2)Ti4Cu8 cuboctahedra, corners with ten equivalent Cu(1)Ti4Cu8 cuboctahedra, edges with six equivalent Ti(1)Cu12 cuboctahedra, edges with six equivalent Cu(1)Ti4Cu8 cuboctahedra, edges with six equivalent Cu(2)Ti4Cu8 cuboctahedra, faces with four equivalent Ti(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Ti4Cu8 cuboctahedra, and faces with twelve equivalent Cu(1)Ti4Cu8 cuboctahedra. There are a spread of Cu(1)-Cu(1) bond distances ranging from 2.59-2.72 Å. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.51-2.62 Å. In the second Cu site, Cu(2) is bonded to four equivalent Ti(1) and eight equivalent Cu(1) atoms to form distorted CuTi4Cu8 cuboctahedra that share corners with two equivalent Cu(2)Ti4Cu8 cuboctahedra, corners with eight equivalent Ti(1)Cu12 cuboctahedra, corners with eight equivalent Cu(1)Ti4Cu8 cuboctahedra, edges with six equivalent Cu(2)Ti4Cu8 cuboctahedra, edges with twelve equivalent Cu(1)Ti4Cu8 cuboctahedra, faces with six equivalent Ti(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Ti4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Ti4Cu8 cuboctahedra.