FeCu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to twelve equivalent Cu(1) atoms to form FeCu12 cuboctahedra that share corners with six equivalent Fe(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Fe4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Fe4Cu8 cuboctahedra, faces with eight equivalent Fe(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Fe4Cu8 cuboctahedra. Cu(1) is bonded to four equivalent Fe(1) and eight equivalent Cu(1) atoms to form CuFe4Cu8 cuboctahedra that share corners with four equivalent Fe(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Fe4Cu8 cuboctahedra, edges with six equivalent Fe(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Fe4Cu8 cuboctahedra, faces with four equivalent Fe(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Fe4Cu8 cuboctahedra.
FeCu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to twelve equivalent Cu(1) atoms to form FeCu12 cuboctahedra that share corners with six equivalent Fe(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Fe4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Fe4Cu8 cuboctahedra, faces with eight equivalent Fe(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Fe4Cu8 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.58 Å) Fe(1)-Cu(1) bond lengths. Cu(1) is bonded to four equivalent Fe(1) and eight equivalent Cu(1) atoms to form CuFe4Cu8 cuboctahedra that share corners with four equivalent Fe(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Fe4Cu8 cuboctahedra, edges with six equivalent Fe(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Fe4Cu8 cuboctahedra, faces with four equivalent Fe(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Fe4Cu8 cuboctahedra. There are a spread of Cu(1)-Cu(1) bond distances ranging from 2.56-2.59 Å.