HoFe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. Ho(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Ho(1), two equivalent Fe(3), and four equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeHo6Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded to six equivalent Ho(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form a mixture of face, corner, and edge-sharing FeHo6Fe6 cuboctahedra. In the third Fe site, Fe(3) is bonded to six equivalent Ho(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeHo6Fe6 cuboctahedra.
HoFe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. Ho(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. There are two shorter (3.02 Å) and one longer (3.03 Å) Ho(1)-Fe(1) bond length. There is one shorter (2.99 Å) and two longer (3.01 Å) Ho(1)-Fe(3) bond lengths. There are a spread of Ho(1)-Fe(2) bond distances ranging from 2.99-3.02 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Ho(1), two equivalent Fe(3), and four equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeHo6Fe6 cuboctahedra. Both Fe(1)-Fe(3) bond lengths are 2.55 Å. All Fe(1)-Fe(2) bond lengths are 2.55 Å. In the second Fe site, Fe(2) is bonded to six equivalent Ho(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form a mixture of face, corner, and edge-sharing FeHo6Fe6 cuboctahedra. There is one shorter (2.56 Å) and one longer (2.59 Å) Fe(2)-Fe(2) bond length. There is one shorter (2.56 Å) and one longer (2.59 Å) Fe(2)-Fe(3) bond length. In the third Fe site, Fe(3) is bonded to six equivalent Ho(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeHo6Fe6 cuboctahedra.