Ho12Fe2In3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 3-coordinate geometry to one Fe(1), one In(2), and two equivalent In(1) atoms. In the second Ho site, Ho(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent In(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Ho(1), four equivalent Ho(2), and one Fe(1) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Ho(2) and eight equivalent Ho(1) atoms to form a mixture of distorted corner and face-sharing InHo12 cuboctahedra. In the second In site, In(2) is bonded in a body-centered cubic geometry to eight equivalent Ho(1) atoms.
Ho12Fe2In3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 3-coordinate geometry to one Fe(1), one In(2), and two equivalent In(1) atoms. The Ho(1)-Fe(1) bond length is 2.97 Å. The Ho(1)-In(2) bond length is 3.14 Å. There is one shorter (3.17 Å) and one longer (3.79 Å) Ho(1)-In(1) bond length. In the second Ho site, Ho(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent In(1) atoms. Both Ho(2)-Fe(1) bond lengths are 2.88 Å. Both Ho(2)-In(1) bond lengths are 3.50 Å. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Ho(1), four equivalent Ho(2), and one Fe(1) atom. The Fe(1)-Fe(1) bond length is 2.29 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Ho(2) and eight equivalent Ho(1) atoms to form a mixture of distorted corner and face-sharing InHo12 cuboctahedra. In the second In site, In(2) is bonded in a body-centered cubic geometry to eight equivalent Ho(1) atoms.