The compound described by Hf6FeGa2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Ga(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Ga(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf6Ga2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.292
_cell_length_b   7.801
_cell_length_c   7.801
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.500
_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  0.500  0.749  0.749  1.0
  Hf  Hf1  1  0.500  0.000  0.251  1.0
  Hf  Hf2  1  0.500  0.251  0.000  1.0
  Hf  Hf3  1  0.000  0.397  0.397  1.0
  Hf  Hf4  1  0.000  0.000  0.603  1.0
  Hf  Hf5  1  0.000  0.603  0.000  1.0
  Ga  Ga6  1  0.500  0.667  0.333  1.0
  Ga  Ga7  1  0.500  0.333  0.667  1.0
  Fe  Fe8  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Hf6FeGa2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Ga(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Ga(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf6Ga2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.292
_cell_length_b   7.801
_cell_length_c   7.801
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.500
_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  0.500  0.749  0.749  1.0
  Hf  Hf1  1  0.500  0.000  0.251  1.0
  Hf  Hf2  1  0.500  0.251  0.000  1.0
  Hf  Hf3  1  0.000  0.397  0.397  1.0
  Hf  Hf4  1  0.000  0.000  0.603  1.0
  Hf  Hf5  1  0.000  0.603  0.000  1.0
  Ga  Ga6  1  0.500  0.667  0.333  1.0
  Ga  Ga7  1  0.500  0.333  0.667  1.0
  Fe  Fe8  1  0.000  0.000  0.000  1.0
[/CIF]
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