LuFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Lu(1) and six equivalent Fe(2) atoms to form a mixture of edge, face, and corner-sharing FeLu6Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded to six equivalent Lu(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of edge, face, and corner-sharing FeLu6Fe6 cuboctahedra.
LuFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(2) atoms. All Lu(1)-Fe(1) bond lengths are 2.97 Å. There are three shorter (2.96 Å) and six longer (2.97 Å) Lu(1)-Fe(2) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Lu(1) and six equivalent Fe(2) atoms to form a mixture of edge, face, and corner-sharing FeLu6Fe6 cuboctahedra. All Fe(1)-Fe(2) bond lengths are 2.53 Å. In the second Fe site, Fe(2) is bonded to six equivalent Lu(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of edge, face, and corner-sharing FeLu6Fe6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.54 Å) Fe(2)-Fe(2) bond lengths.