The compound described by Hf5Ir3 crystallizes in the hexagonal P6_122 space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the fourth Hf site, Hf(4) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Hf(4), two equivalent Hf(2), two equivalent Hf(3), and four equivalent Hf(1) atoms. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), and two equivalent Hf(4) atoms. is represented by the CIF card [CIF]
data_Hf5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.868
_cell_length_b   7.868
_cell_length_c   16.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   906.206
_cell_formula_units_Z   6
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  0.763  0.772  0.659  1.0
  Hf  Hf1  1  0.010  0.237  0.326  1.0
  Hf  Hf2  1  0.237  0.228  0.159  1.0
  Hf  Hf3  1  0.990  0.228  0.008  1.0
  Hf  Hf4  1  0.228  0.990  0.992  1.0
  Hf  Hf5  1  0.990  0.763  0.826  1.0
  Hf  Hf6  1  0.772  0.763  0.341  1.0
  Hf  Hf7  1  0.010  0.772  0.508  1.0
  Hf  Hf8  1  0.772  0.010  0.492  1.0
  Hf  Hf9  1  0.228  0.237  0.841  1.0
  Hf  Hf10  1  0.237  0.010  0.674  1.0
  Hf  Hf11  1  0.763  0.990  0.174  1.0
  Hf  Hf12  1  0.344  0.656  0.750  1.0
  Hf  Hf13  1  0.312  0.656  0.417  1.0
  Hf  Hf14  1  0.656  0.344  0.250  1.0
  Hf  Hf15  1  0.688  0.344  0.917  1.0
  Hf  Hf16  1  0.344  0.688  0.083  1.0
  Hf  Hf17  1  0.656  0.312  0.583  1.0
  Hf  Hf18  1  0.622  0.378  0.750  1.0
  Hf  Hf19  1  0.757  0.378  0.417  1.0
  Hf  Hf20  1  0.378  0.622  0.250  1.0
  Hf  Hf21  1  0.243  0.622  0.917  1.0
  Hf  Hf22  1  0.622  0.243  0.083  1.0
  Hf  Hf23  1  0.378  0.757  0.583  1.0
  Hf  Hf24  1  0.751  0.751  0.000  1.0
  Hf  Hf25  1  0.000  0.249  0.667  1.0
  Hf  Hf26  1  0.249  0.249  0.500  1.0
  Hf  Hf27  1  0.249  0.000  0.333  1.0
  Hf  Hf28  1  0.000  0.751  0.167  1.0
  Hf  Hf29  1  0.751  0.000  0.833  1.0
  Ir  Ir30  1  0.582  0.608  0.857  1.0
  Ir  Ir31  1  0.026  0.418  0.524  1.0
  Ir  Ir32  1  0.418  0.392  0.357  1.0
  Ir  Ir33  1  0.974  0.392  0.810  1.0
  Ir  Ir34  1  0.392  0.974  0.190  1.0
  Ir  Ir35  1  0.974  0.582  0.024  1.0
  Ir  Ir36  1  0.608  0.582  0.143  1.0
  Ir  Ir37  1  0.026  0.608  0.310  1.0
  Ir  Ir38  1  0.608  0.026  0.690  1.0
  Ir  Ir39  1  0.392  0.418  0.643  1.0
  Ir  Ir40  1  0.418  0.026  0.476  1.0
  Ir  Ir41  1  0.582  0.974  0.976  1.0
  Ir  Ir42  1  0.380  0.380  0.000  1.0
  Ir  Ir43  1  0.000  0.620  0.667  1.0
  Ir  Ir44  1  0.620  0.620  0.500  1.0
  Ir  Ir45  1  0.620  0.000  0.333  1.0
  Ir  Ir46  1  0.000  0.380  0.167  1.0
  Ir  Ir47  1  0.380  0.000  0.833  1.0
[/CIF]
.
The compound described by Hf5Ir3 crystallizes in the hexagonal P6_122 space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the fourth Hf site, Hf(4) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Hf(4), two equivalent Hf(2), two equivalent Hf(3), and four equivalent Hf(1) atoms. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), and two equivalent Hf(4) atoms. is represented by the CIF card [CIF]
data_Hf5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.868
_cell_length_b   7.868
_cell_length_c   16.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   906.206
_cell_formula_units_Z   6
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  0.763  0.772  0.659  1.0
  Hf  Hf1  1  0.010  0.237  0.326  1.0
  Hf  Hf2  1  0.237  0.228  0.159  1.0
  Hf  Hf3  1  0.990  0.228  0.008  1.0
  Hf  Hf4  1  0.228  0.990  0.992  1.0
  Hf  Hf5  1  0.990  0.763  0.826  1.0
  Hf  Hf6  1  0.772  0.763  0.341  1.0
  Hf  Hf7  1  0.010  0.772  0.508  1.0
  Hf  Hf8  1  0.772  0.010  0.492  1.0
  Hf  Hf9  1  0.228  0.237  0.841  1.0
  Hf  Hf10  1  0.237  0.010  0.674  1.0
  Hf  Hf11  1  0.763  0.990  0.174  1.0
  Hf  Hf12  1  0.344  0.656  0.750  1.0
  Hf  Hf13  1  0.312  0.656  0.417  1.0
  Hf  Hf14  1  0.656  0.344  0.250  1.0
  Hf  Hf15  1  0.688  0.344  0.917  1.0
  Hf  Hf16  1  0.344  0.688  0.083  1.0
  Hf  Hf17  1  0.656  0.312  0.583  1.0
  Hf  Hf18  1  0.622  0.378  0.750  1.0
  Hf  Hf19  1  0.757  0.378  0.417  1.0
  Hf  Hf20  1  0.378  0.622  0.250  1.0
  Hf  Hf21  1  0.243  0.622  0.917  1.0
  Hf  Hf22  1  0.622  0.243  0.083  1.0
  Hf  Hf23  1  0.378  0.757  0.583  1.0
  Hf  Hf24  1  0.751  0.751  0.000  1.0
  Hf  Hf25  1  0.000  0.249  0.667  1.0
  Hf  Hf26  1  0.249  0.249  0.500  1.0
  Hf  Hf27  1  0.249  0.000  0.333  1.0
  Hf  Hf28  1  0.000  0.751  0.167  1.0
  Hf  Hf29  1  0.751  0.000  0.833  1.0
  Ir  Ir30  1  0.582  0.608  0.857  1.0
  Ir  Ir31  1  0.026  0.418  0.524  1.0
  Ir  Ir32  1  0.418  0.392  0.357  1.0
  Ir  Ir33  1  0.974  0.392  0.810  1.0
  Ir  Ir34  1  0.392  0.974  0.190  1.0
  Ir  Ir35  1  0.974  0.582  0.024  1.0
  Ir  Ir36  1  0.608  0.582  0.143  1.0
  Ir  Ir37  1  0.026  0.608  0.310  1.0
  Ir  Ir38  1  0.608  0.026  0.690  1.0
  Ir  Ir39  1  0.392  0.418  0.643  1.0
  Ir  Ir40  1  0.418  0.026  0.476  1.0
  Ir  Ir41  1  0.582  0.974  0.976  1.0
  Ir  Ir42  1  0.380  0.380  0.000  1.0
  Ir  Ir43  1  0.000  0.620  0.667  1.0
  Ir  Ir44  1  0.620  0.620  0.500  1.0
  Ir  Ir45  1  0.620  0.000  0.333  1.0
  Ir  Ir46  1  0.000  0.380  0.167  1.0
  Ir  Ir47  1  0.380  0.000  0.833  1.0
[/CIF]
.