Re3Ir is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Re(1), four equivalent Re(2), and four equivalent Ir(1) atoms to form ReRe8Ir4 cuboctahedra that share corners with twelve equivalent Re(1)Re8Ir4 cuboctahedra, edges with eight equivalent Re(1)Re8Ir4 cuboctahedra, edges with eight equivalent Re(2)Re8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Re12 cuboctahedra, faces with four equivalent Re(2)Re8Ir4 cuboctahedra, faces with four equivalent Ir(1)Re12 cuboctahedra, and faces with ten equivalent Re(1)Re8Ir4 cuboctahedra. In the second Re site, Re(2) is bonded to eight equivalent Re(1) and four equivalent Ir(1) atoms to form ReRe8Ir4 cuboctahedra that share corners with four equivalent Re(2)Re8Ir4 cuboctahedra, corners with eight equivalent Ir(1)Re12 cuboctahedra, edges with eight equivalent Re(2)Re8Ir4 cuboctahedra, edges with sixteen equivalent Re(1)Re8Ir4 cuboctahedra, faces with four equivalent Re(2)Re8Ir4 cuboctahedra, faces with six equivalent Ir(1)Re12 cuboctahedra, and faces with eight equivalent Re(1)Re8Ir4 cuboctahedra. Ir(1) is bonded to four equivalent Re(2) and eight equivalent Re(1) atoms to form IrRe12 cuboctahedra that share corners with four equivalent Ir(1)Re12 cuboctahedra, corners with eight equivalent Re(2)Re8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Re12 cuboctahedra, edges with sixteen equivalent Re(1)Re8Ir4 cuboctahedra, faces with four equivalent Ir(1)Re12 cuboctahedra, faces with six equivalent Re(2)Re8Ir4 cuboctahedra, and faces with eight equivalent Re(1)Re8Ir4 cuboctahedra.
Re3Ir is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Re(1), four equivalent Re(2), and four equivalent Ir(1) atoms to form ReRe8Ir4 cuboctahedra that share corners with twelve equivalent Re(1)Re8Ir4 cuboctahedra, edges with eight equivalent Re(1)Re8Ir4 cuboctahedra, edges with eight equivalent Re(2)Re8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Re12 cuboctahedra, faces with four equivalent Re(2)Re8Ir4 cuboctahedra, faces with four equivalent Ir(1)Re12 cuboctahedra, and faces with ten equivalent Re(1)Re8Ir4 cuboctahedra. All Re(1)-Re(1) bond lengths are 2.75 Å. All Re(1)-Re(2) bond lengths are 2.75 Å. All Re(1)-Ir(1) bond lengths are 2.75 Å. In the second Re site, Re(2) is bonded to eight equivalent Re(1) and four equivalent Ir(1) atoms to form ReRe8Ir4 cuboctahedra that share corners with four equivalent Re(2)Re8Ir4 cuboctahedra, corners with eight equivalent Ir(1)Re12 cuboctahedra, edges with eight equivalent Re(2)Re8Ir4 cuboctahedra, edges with sixteen equivalent Re(1)Re8Ir4 cuboctahedra, faces with four equivalent Re(2)Re8Ir4 cuboctahedra, faces with six equivalent Ir(1)Re12 cuboctahedra, and faces with eight equivalent Re(1)Re8Ir4 cuboctahedra. All Re(2)-Ir(1) bond lengths are 2.75 Å. Ir(1) is bonded to four equivalent Re(2) and eight equivalent Re(1) atoms to form IrRe12 cuboctahedra that share corners with four equivalent Ir(1)Re12 cuboctahedra, corners with eight equivalent Re(2)Re8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Re12 cuboctahedra, edges with sixteen equivalent Re(1)Re8Ir4 cuboctahedra, faces with four equivalent Ir(1)Re12 cuboctahedra, faces with six equivalent Re(2)Re8Ir4 cuboctahedra, and faces with eight equivalent Re(1)Re8Ir4 cuboctahedra.