The crystal structure described by Hf4Al3 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), six equivalent Hf(2), and six equivalent Al(1) atoms. In the second Hf site, Hf(2) is bonded in a 15-coordinate geometry to three equivalent Hf(2), six equivalent Hf(1), and six equivalent Al(1) atoms. Al(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Al(1) atoms to form a mixture of corner, edge, and face-sharing AlHf8Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf4Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   5.327
_cell_length_c   5.405
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.831
_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  0.740  1.0
  Hf  Hf1  1  0.000  0.000  0.260  1.0
  Hf  Hf2  1  0.667  0.333  0.500  1.0
  Hf  Hf3  1  0.333  0.667  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Al  Al5  1  0.000  0.500  0.000  1.0
  Al  Al6  1  0.500  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Hf4Al3 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), six equivalent Hf(2), and six equivalent Al(1) atoms. In the second Hf site, Hf(2) is bonded in a 15-coordinate geometry to three equivalent Hf(2), six equivalent Hf(1), and six equivalent Al(1) atoms. Al(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Al(1) atoms to form a mixture of corner, edge, and face-sharing AlHf8Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf4Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   5.327
_cell_length_c   5.405
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.831
_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  0.740  1.0
  Hf  Hf1  1  0.000  0.000  0.260  1.0
  Hf  Hf2  1  0.667  0.333  0.500  1.0
  Hf  Hf3  1  0.333  0.667  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Al  Al5  1  0.000  0.500  0.000  1.0
  Al  Al6  1  0.500  0.000  0.000  1.0
[/CIF]
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