Ho3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Ho site, Ho(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Ho(1), four equivalent Ho(2), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Ho(1), four equivalent Ho(2), and two equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ho(1), five equivalent Ho(2), three equivalent Fe(1), and one Si(2) atom.
Ho3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), two equivalent Si(2), and three equivalent Si(1) atoms. All Ho(1)-Fe(1) bond lengths are 3.18 Å. Both Ho(1)-Si(2) bond lengths are 2.87 Å. There are two shorter (2.84 Å) and one longer (3.27 Å) Ho(1)-Si(1) bond length. In the second Ho site, Ho(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), and five equivalent Si(2) atoms. There are a spread of Ho(2)-Fe(1) bond distances ranging from 2.99-3.11 Å. Both Ho(2)-Si(1) bond lengths are 2.93 Å. There are a spread of Ho(2)-Si(2) bond distances ranging from 2.93-3.28 Å. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Ho(1), four equivalent Ho(2), one Si(1), and three equivalent Si(2) atoms. The Fe(1)-Si(1) bond length is 2.59 Å. There are two shorter (2.32 Å) and one longer (2.34 Å) Fe(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Ho(1), four equivalent Ho(2), and two equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ho(1), five equivalent Ho(2), three equivalent Fe(1), and one Si(2) atom. The Si(2)-Si(2) bond length is 2.81 Å.