The material structure described by Zr5Ir3 crystallizes in the hexagonal P6_122 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent 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 Zr(3), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and two equivalent Zr(4) atoms. is represented by the CIF card [CIF]
data_Zr5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.945
_cell_length_b   7.945
_cell_length_c   17.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   938.505
_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
  Zr  Zr0  1  0.238  0.230  0.826  1.0
  Zr  Zr1  1  0.770  0.008  0.159  1.0
  Zr  Zr2  1  0.992  0.762  0.493  1.0
  Zr  Zr3  1  0.008  0.238  0.993  1.0
  Zr  Zr4  1  0.762  0.992  0.841  1.0
  Zr  Zr5  1  0.762  0.770  0.326  1.0
  Zr  Zr6  1  0.230  0.992  0.659  1.0
  Zr  Zr7  1  0.770  0.762  0.007  1.0
  Zr  Zr8  1  0.992  0.230  0.674  1.0
  Zr  Zr9  1  0.008  0.770  0.174  1.0
  Zr  Zr10  1  0.230  0.238  0.507  1.0
  Zr  Zr11  1  0.238  0.008  0.341  1.0
  Zr  Zr12  1  0.345  0.690  0.750  1.0
  Zr  Zr13  1  0.655  0.345  0.917  1.0
  Zr  Zr14  1  0.690  0.345  0.583  1.0
  Zr  Zr15  1  0.310  0.655  0.083  1.0
  Zr  Zr16  1  0.345  0.655  0.417  1.0
  Zr  Zr17  1  0.655  0.310  0.250  1.0
  Zr  Zr18  1  0.251  0.000  0.000  1.0
  Zr  Zr19  1  0.251  0.251  0.167  1.0
  Zr  Zr20  1  0.000  0.749  0.833  1.0
  Zr  Zr21  1  0.000  0.251  0.333  1.0
  Zr  Zr22  1  0.749  0.749  0.667  1.0
  Zr  Zr23  1  0.749  0.000  0.500  1.0
  Zr  Zr24  1  0.376  0.752  0.250  1.0
  Zr  Zr25  1  0.624  0.376  0.417  1.0
  Zr  Zr26  1  0.752  0.376  0.083  1.0
  Zr  Zr27  1  0.248  0.624  0.583  1.0
  Zr  Zr28  1  0.376  0.624  0.917  1.0
  Zr  Zr29  1  0.624  0.248  0.750  1.0
  Ir  Ir30  1  0.416  0.394  0.024  1.0
  Ir  Ir31  1  0.606  0.022  0.357  1.0
  Ir  Ir32  1  0.978  0.584  0.690  1.0
  Ir  Ir33  1  0.022  0.416  0.190  1.0
  Ir  Ir34  1  0.584  0.978  0.643  1.0
  Ir  Ir35  1  0.584  0.606  0.524  1.0
  Ir  Ir36  1  0.394  0.978  0.857  1.0
  Ir  Ir37  1  0.606  0.584  0.810  1.0
  Ir  Ir38  1  0.978  0.394  0.476  1.0
  Ir  Ir39  1  0.022  0.606  0.976  1.0
  Ir  Ir40  1  0.394  0.416  0.310  1.0
  Ir  Ir41  1  0.416  0.022  0.143  1.0
  Ir  Ir42  1  0.382  0.000  0.500  1.0
  Ir  Ir43  1  0.382  0.382  0.667  1.0
  Ir  Ir44  1  0.000  0.618  0.333  1.0
  Ir  Ir45  1  0.000  0.382  0.833  1.0
  Ir  Ir46  1  0.618  0.618  0.167  1.0
  Ir  Ir47  1  0.618  0.000  0.000  1.0
[/CIF]
.
The material structure described by Zr5Ir3 crystallizes in the hexagonal P6_122 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent 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 Zr(3), two equivalent Zr(2), two equivalent Zr(4), and four equivalent Zr(1) atoms. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and two equivalent Zr(4) atoms. is represented by the CIF card [CIF]
data_Zr5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.945
_cell_length_b   7.945
_cell_length_c   17.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   938.505
_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
  Zr  Zr0  1  0.238  0.230  0.826  1.0
  Zr  Zr1  1  0.770  0.008  0.159  1.0
  Zr  Zr2  1  0.992  0.762  0.493  1.0
  Zr  Zr3  1  0.008  0.238  0.993  1.0
  Zr  Zr4  1  0.762  0.992  0.841  1.0
  Zr  Zr5  1  0.762  0.770  0.326  1.0
  Zr  Zr6  1  0.230  0.992  0.659  1.0
  Zr  Zr7  1  0.770  0.762  0.007  1.0
  Zr  Zr8  1  0.992  0.230  0.674  1.0
  Zr  Zr9  1  0.008  0.770  0.174  1.0
  Zr  Zr10  1  0.230  0.238  0.507  1.0
  Zr  Zr11  1  0.238  0.008  0.341  1.0
  Zr  Zr12  1  0.345  0.690  0.750  1.0
  Zr  Zr13  1  0.655  0.345  0.917  1.0
  Zr  Zr14  1  0.690  0.345  0.583  1.0
  Zr  Zr15  1  0.310  0.655  0.083  1.0
  Zr  Zr16  1  0.345  0.655  0.417  1.0
  Zr  Zr17  1  0.655  0.310  0.250  1.0
  Zr  Zr18  1  0.251  0.000  0.000  1.0
  Zr  Zr19  1  0.251  0.251  0.167  1.0
  Zr  Zr20  1  0.000  0.749  0.833  1.0
  Zr  Zr21  1  0.000  0.251  0.333  1.0
  Zr  Zr22  1  0.749  0.749  0.667  1.0
  Zr  Zr23  1  0.749  0.000  0.500  1.0
  Zr  Zr24  1  0.376  0.752  0.250  1.0
  Zr  Zr25  1  0.624  0.376  0.417  1.0
  Zr  Zr26  1  0.752  0.376  0.083  1.0
  Zr  Zr27  1  0.248  0.624  0.583  1.0
  Zr  Zr28  1  0.376  0.624  0.917  1.0
  Zr  Zr29  1  0.624  0.248  0.750  1.0
  Ir  Ir30  1  0.416  0.394  0.024  1.0
  Ir  Ir31  1  0.606  0.022  0.357  1.0
  Ir  Ir32  1  0.978  0.584  0.690  1.0
  Ir  Ir33  1  0.022  0.416  0.190  1.0
  Ir  Ir34  1  0.584  0.978  0.643  1.0
  Ir  Ir35  1  0.584  0.606  0.524  1.0
  Ir  Ir36  1  0.394  0.978  0.857  1.0
  Ir  Ir37  1  0.606  0.584  0.810  1.0
  Ir  Ir38  1  0.978  0.394  0.476  1.0
  Ir  Ir39  1  0.022  0.606  0.976  1.0
  Ir  Ir40  1  0.394  0.416  0.310  1.0
  Ir  Ir41  1  0.416  0.022  0.143  1.0
  Ir  Ir42  1  0.382  0.000  0.500  1.0
  Ir  Ir43  1  0.382  0.382  0.667  1.0
  Ir  Ir44  1  0.000  0.618  0.333  1.0
  Ir  Ir45  1  0.000  0.382  0.833  1.0
  Ir  Ir46  1  0.618  0.618  0.167  1.0
  Ir  Ir47  1  0.618  0.000  0.000  1.0
[/CIF]
.