Re3Fe is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to eight equivalent Re(1) and four equivalent Fe(1) atoms to form ReFe4Re8 cuboctahedra that share corners with four equivalent Fe(1)Re12 cuboctahedra, corners with fourteen equivalent Re(1)Fe4Re8 cuboctahedra, edges with six equivalent Fe(1)Re12 cuboctahedra, edges with twelve equivalent Re(1)Fe4Re8 cuboctahedra, faces with four equivalent Fe(1)Re12 cuboctahedra, and faces with sixteen equivalent Re(1)Fe4Re8 cuboctahedra. Fe(1) is bonded to twelve equivalent Re(1) atoms to form FeRe12 cuboctahedra that share corners with six equivalent Fe(1)Re12 cuboctahedra, corners with twelve equivalent Re(1)Fe4Re8 cuboctahedra, edges with eighteen equivalent Re(1)Fe4Re8 cuboctahedra, faces with eight equivalent Fe(1)Re12 cuboctahedra, and faces with twelve equivalent Re(1)Fe4Re8 cuboctahedra.
Re3Fe is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to eight equivalent Re(1) and four equivalent Fe(1) atoms to form ReFe4Re8 cuboctahedra that share corners with four equivalent Fe(1)Re12 cuboctahedra, corners with fourteen equivalent Re(1)Fe4Re8 cuboctahedra, edges with six equivalent Fe(1)Re12 cuboctahedra, edges with twelve equivalent Re(1)Fe4Re8 cuboctahedra, faces with four equivalent Fe(1)Re12 cuboctahedra, and faces with sixteen equivalent Re(1)Fe4Re8 cuboctahedra. There are six shorter (2.70 Å) and two longer (2.71 Å) Re(1)-Re(1) bond lengths. All Re(1)-Fe(1) bond lengths are 2.70 Å. Fe(1) is bonded to twelve equivalent Re(1) atoms to form FeRe12 cuboctahedra that share corners with six equivalent Fe(1)Re12 cuboctahedra, corners with twelve equivalent Re(1)Fe4Re8 cuboctahedra, edges with eighteen equivalent Re(1)Fe4Re8 cuboctahedra, faces with eight equivalent Fe(1)Re12 cuboctahedra, and faces with twelve equivalent Re(1)Fe4Re8 cuboctahedra.