The material described by Hf5Ir3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Ir(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to five equivalent Ir(1) atoms. Ir(1) is bonded in a 9-coordinate geometry to four equivalent Hf(1) and five equivalent Hf(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.915
_cell_length_b   7.915
_cell_length_c   5.512
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.058
_cell_formula_units_Z   2
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  0.667  0.333  1.000  1.0
  Hf  Hf1  1  0.333  0.667  0.000  1.0
  Hf  Hf2  1  0.333  0.667  0.500  1.0
  Hf  Hf3  1  0.667  0.333  0.500  1.0
  Hf  Hf4  1  0.759  0.759  0.750  1.0
  Hf  Hf5  1  0.241  0.000  0.750  1.0
  Hf  Hf6  1  0.000  0.241  0.750  1.0
  Hf  Hf7  1  0.241  0.241  0.250  1.0
  Hf  Hf8  1  0.759  1.000  0.250  1.0
  Hf  Hf9  1  1.000  0.759  0.250  1.0
  Ir  Ir10  1  0.400  0.400  0.750  1.0
  Ir  Ir11  1  0.600  1.000  0.750  1.0
  Ir  Ir12  1  1.000  0.600  0.750  1.0
  Ir  Ir13  1  0.600  0.600  0.250  1.0
  Ir  Ir14  1  0.400  0.000  0.250  1.0
  Ir  Ir15  1  0.000  0.400  0.250  1.0
[/CIF]
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The material described by Hf5Ir3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Ir(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to five equivalent Ir(1) atoms. Ir(1) is bonded in a 9-coordinate geometry to four equivalent Hf(1) and five equivalent Hf(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.915
_cell_length_b   7.915
_cell_length_c   5.512
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.058
_cell_formula_units_Z   2
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  0.667  0.333  1.000  1.0
  Hf  Hf1  1  0.333  0.667  0.000  1.0
  Hf  Hf2  1  0.333  0.667  0.500  1.0
  Hf  Hf3  1  0.667  0.333  0.500  1.0
  Hf  Hf4  1  0.759  0.759  0.750  1.0
  Hf  Hf5  1  0.241  0.000  0.750  1.0
  Hf  Hf6  1  0.000  0.241  0.750  1.0
  Hf  Hf7  1  0.241  0.241  0.250  1.0
  Hf  Hf8  1  0.759  1.000  0.250  1.0
  Hf  Hf9  1  1.000  0.759  0.250  1.0
  Ir  Ir10  1  0.400  0.400  0.750  1.0
  Ir  Ir11  1  0.600  1.000  0.750  1.0
  Ir  Ir12  1  1.000  0.600  0.750  1.0
  Ir  Ir13  1  0.600  0.600  0.250  1.0
  Ir  Ir14  1  0.400  0.000  0.250  1.0
  Ir  Ir15  1  0.000  0.400  0.250  1.0
[/CIF]
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