The crystal structure described by HoFeAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 12-coordinate geometry to three equivalent Ho(2), one Fe(3), two equivalent Fe(1), two equivalent Fe(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Ho site, Ho(2) is bonded in a 16-coordinate geometry to one Ho(2), three equivalent Ho(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Ho(2), four equivalent Ho(1), two equivalent Al(1), and four equivalent Al(2) atoms to form FeHo6Al6 cuboctahedra that share corners with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Fe(1)Ho6Al6 cuboctahedra, corners with four equivalent Al(1)Ho6Al2Fe4 cuboctahedra, edges with two equivalent Fe(1)Ho6Al6 cuboctahedra, edges with four equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, faces with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra, and faces with eight equivalent Al(2)Ho6Al4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Ho(1), four equivalent Ho(2), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Al(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Ho(1), four equivalent Ho(2), four equivalent Fe(2), and two equivalent Al(1) atoms to form distorted FeHo6Al2Fe4 cuboctahedra that share corners with two equivalent Fe(1)Ho6Al6 cuboctahedra, corners with four equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Al(1)Ho6Al2Fe4 cuboctahedra, corners with eight equivalent Al(2)Ho6Al4Fe2 cuboctahedra, edges with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, edges with four equivalent Fe(1)Ho6Al6 cuboctahedra, faces with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, and faces with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Ho(1), three equivalent Ho(2), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Al(2) atoms to form distorted AlHo6Al2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with two equivalent Fe(1)Ho6Al6 cuboctahedra, corners with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra, faces with two equivalent Al(1)Ho6Al2Fe4 cuboctahedra, faces with three equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, faces with three equivalent Fe(1)Ho6Al6 cuboctahedra, and faces with six equivalent Al(2)Ho6Al4Fe2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ho(2), four equivalent Ho(1), two equivalent Fe(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlHo6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Al(1)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, edges with two equivalent Al(2)Ho6Al4Fe2 cuboctahedra, faces with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, faces with four equivalent Fe(1)Ho6Al6 cuboctahedra, faces with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, and faces with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.375
_cell_length_c   8.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.443
_symmetry_Int_Tables_number   1
_cell_volume   213.480
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ho  Ho0  1  0.668  0.334  0.554  1.0
  Ho  Ho1  1  0.337  0.669  0.426  1.0
  Ho  Ho2  1  0.337  0.669  0.074  1.0
  Ho  Ho3  1  0.668  0.334  0.946  1.0
  Al  Al4  1  0.990  0.995  0.485  1.0
  Al  Al5  1  0.990  0.995  0.015  1.0
  Al  Al6  1  0.174  0.340  0.750  1.0
  Al  Al7  1  0.174  0.834  0.750  1.0
  Fe  Fe8  1  0.666  0.833  0.750  1.0
  Fe  Fe9  1  0.824  0.643  0.250  1.0
  Fe  Fe10  1  0.824  0.181  0.250  1.0
  Fe  Fe11  1  0.348  0.174  0.250  1.0
[/CIF]
.
The crystal structure described by HoFeAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 12-coordinate geometry to three equivalent Ho(2), one Fe(3), two equivalent Fe(1), two equivalent Fe(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Ho site, Ho(2) is bonded in a 16-coordinate geometry to one Ho(2), three equivalent Ho(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Ho(2), four equivalent Ho(1), two equivalent Al(1), and four equivalent Al(2) atoms to form FeHo6Al6 cuboctahedra that share corners with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Fe(1)Ho6Al6 cuboctahedra, corners with four equivalent Al(1)Ho6Al2Fe4 cuboctahedra, edges with two equivalent Fe(1)Ho6Al6 cuboctahedra, edges with four equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, faces with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra, and faces with eight equivalent Al(2)Ho6Al4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Ho(1), four equivalent Ho(2), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Al(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Ho(1), four equivalent Ho(2), four equivalent Fe(2), and two equivalent Al(1) atoms to form distorted FeHo6Al2Fe4 cuboctahedra that share corners with two equivalent Fe(1)Ho6Al6 cuboctahedra, corners with four equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Al(1)Ho6Al2Fe4 cuboctahedra, corners with eight equivalent Al(2)Ho6Al4Fe2 cuboctahedra, edges with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, edges with four equivalent Fe(1)Ho6Al6 cuboctahedra, faces with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, and faces with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Ho(1), three equivalent Ho(2), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Al(2) atoms to form distorted AlHo6Al2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with two equivalent Fe(1)Ho6Al6 cuboctahedra, corners with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra, faces with two equivalent Al(1)Ho6Al2Fe4 cuboctahedra, faces with three equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, faces with three equivalent Fe(1)Ho6Al6 cuboctahedra, and faces with six equivalent Al(2)Ho6Al4Fe2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ho(2), four equivalent Ho(1), two equivalent Fe(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlHo6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Al(1)Ho6Al2Fe4 cuboctahedra, corners with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, edges with two equivalent Al(2)Ho6Al4Fe2 cuboctahedra, faces with two equivalent Fe(3)Ho6Al2Fe4 cuboctahedra, faces with four equivalent Fe(1)Ho6Al6 cuboctahedra, faces with four equivalent Al(2)Ho6Al4Fe2 cuboctahedra, and faces with six equivalent Al(1)Ho6Al2Fe4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.375
_cell_length_c   8.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.443
_symmetry_Int_Tables_number   1
_cell_volume   213.480
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ho  Ho0  1  0.668  0.334  0.554  1.0
  Ho  Ho1  1  0.337  0.669  0.426  1.0
  Ho  Ho2  1  0.337  0.669  0.074  1.0
  Ho  Ho3  1  0.668  0.334  0.946  1.0
  Al  Al4  1  0.990  0.995  0.485  1.0
  Al  Al5  1  0.990  0.995  0.015  1.0
  Al  Al6  1  0.174  0.340  0.750  1.0
  Al  Al7  1  0.174  0.834  0.750  1.0
  Fe  Fe8  1  0.666  0.833  0.750  1.0
  Fe  Fe9  1  0.824  0.643  0.250  1.0
  Fe  Fe10  1  0.824  0.181  0.250  1.0
  Fe  Fe11  1  0.348  0.174  0.250  1.0
[/CIF]
.