The structure described by Hf(FeGa)6 crystallizes in the orthorhombic Immm space group. Hf(1) is bonded to four equivalent Fe(1), eight equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted HfGa8Fe12 hexagonal bipyramids that share corners with eight equivalent Hf(1)Ga8Fe12 hexagonal bipyramids, faces with eight equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, faces with sixteen equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, and faces with two equivalent Hf(1)Ga8Fe12 hexagonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Hf(1), four equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeHf2Ga6Fe4 cuboctahedra that share corners with six equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, corners with eight equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, edges with three equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, edges with four equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra,  a faceface with one Fe(1)Hf2Ga6Fe4 cuboctahedra, faces with eight equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, and faces with four equivalent Hf(1)Ga8Fe12 hexagonal bipyramids. In the second Fe site, Fe(2) is bonded to two equivalent Hf(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeHf2Ga6Fe4 cuboctahedra that share corners with four equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, corners with ten equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, edges with two equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, edges with four equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, faces with four equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, faces with six equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, and faces with four equivalent Hf(1)Ga8Fe12 hexagonal bipyramids. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to one Hf(1), two equivalent Fe(1), four equivalent Fe(2), and one Ga(1) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Hf(1), two equivalent Fe(1), four equivalent Fe(2), one Ga(2), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Fe(1), four equivalent Fe(2), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Hf(GaFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.988
_cell_length_b   6.508
_cell_length_c   6.508
_cell_angle_alpha   80.429
_cell_angle_beta   67.465
_cell_angle_gamma   67.465
_symmetry_Int_Tables_number   1
_cell_volume   180.159
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.000  0.669  0.331  1.0
  Ga  Ga2  1  0.000  0.331  0.669  1.0
  Ga  Ga3  1  0.341  0.659  0.659  1.0
  Ga  Ga4  1  0.659  0.341  0.341  1.0
  Ga  Ga5  1  0.327  0.173  0.173  1.0
  Ga  Ga6  1  0.673  0.827  0.827  1.0
  Fe  Fe7  1  0.500  0.244  0.756  1.0
  Fe  Fe8  1  0.500  0.756  0.244  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.500  0.000  1.0
  Fe  Fe11  1  0.000  0.000  0.500  1.0
  Fe  Fe12  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by Hf(FeGa)6 crystallizes in the orthorhombic Immm space group. Hf(1) is bonded to four equivalent Fe(1), eight equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted HfGa8Fe12 hexagonal bipyramids that share corners with eight equivalent Hf(1)Ga8Fe12 hexagonal bipyramids, faces with eight equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, faces with sixteen equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, and faces with two equivalent Hf(1)Ga8Fe12 hexagonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Hf(1), four equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeHf2Ga6Fe4 cuboctahedra that share corners with six equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, corners with eight equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, edges with three equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, edges with four equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra,  a faceface with one Fe(1)Hf2Ga6Fe4 cuboctahedra, faces with eight equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, and faces with four equivalent Hf(1)Ga8Fe12 hexagonal bipyramids. In the second Fe site, Fe(2) is bonded to two equivalent Hf(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeHf2Ga6Fe4 cuboctahedra that share corners with four equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, corners with ten equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, edges with two equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, edges with four equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, faces with four equivalent Fe(1)Hf2Ga6Fe4 cuboctahedra, faces with six equivalent Fe(2)Hf2Ga6Fe4 cuboctahedra, and faces with four equivalent Hf(1)Ga8Fe12 hexagonal bipyramids. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to one Hf(1), two equivalent Fe(1), four equivalent Fe(2), and one Ga(1) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Hf(1), two equivalent Fe(1), four equivalent Fe(2), one Ga(2), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Fe(1), four equivalent Fe(2), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Hf(GaFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.988
_cell_length_b   6.508
_cell_length_c   6.508
_cell_angle_alpha   80.429
_cell_angle_beta   67.465
_cell_angle_gamma   67.465
_symmetry_Int_Tables_number   1
_cell_volume   180.159
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.000  0.669  0.331  1.0
  Ga  Ga2  1  0.000  0.331  0.669  1.0
  Ga  Ga3  1  0.341  0.659  0.659  1.0
  Ga  Ga4  1  0.659  0.341  0.341  1.0
  Ga  Ga5  1  0.327  0.173  0.173  1.0
  Ga  Ga6  1  0.673  0.827  0.827  1.0
  Fe  Fe7  1  0.500  0.244  0.756  1.0
  Fe  Fe8  1  0.500  0.756  0.244  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.500  0.000  1.0
  Fe  Fe11  1  0.000  0.000  0.500  1.0
  Fe  Fe12  1  0.500  0.000  0.500  1.0
[/CIF]
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