The crystal structure described by ZrIr crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1) and five equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent Ir(2) and six equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1) and six equivalent Zr(2) atoms. In the second Ir site, Ir(2) is bonded in a 7-coordinate geometry to two equivalent Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.459
_cell_length_b   4.311
_cell_length_c   9.985
_cell_angle_alpha   90.000
_cell_angle_beta   99.973
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.609
_cell_formula_units_Z   4
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  0.695  0.750  0.390  1.0
  Zr  Zr1  1  0.439  0.750  0.878  1.0
  Zr  Zr2  1  0.305  0.250  0.610  1.0
  Zr  Zr3  1  0.561  0.250  0.122  1.0
  Ir  Ir4  1  0.056  0.750  0.113  1.0
  Ir  Ir5  1  0.832  0.750  0.665  1.0
  Ir  Ir6  1  0.944  0.250  0.887  1.0
  Ir  Ir7  1  0.168  0.250  0.335  1.0
[/CIF]
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The crystal structure described by ZrIr crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1) and five equivalent Ir(2) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent Ir(2) and six equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1) and six equivalent Zr(2) atoms. In the second Ir site, Ir(2) is bonded in a 7-coordinate geometry to two equivalent Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.459
_cell_length_b   4.311
_cell_length_c   9.985
_cell_angle_alpha   90.000
_cell_angle_beta   99.973
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.609
_cell_formula_units_Z   4
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  0.695  0.750  0.390  1.0
  Zr  Zr1  1  0.439  0.750  0.878  1.0
  Zr  Zr2  1  0.305  0.250  0.610  1.0
  Zr  Zr3  1  0.561  0.250  0.122  1.0
  Ir  Ir4  1  0.056  0.750  0.113  1.0
  Ir  Ir5  1  0.832  0.750  0.665  1.0
  Ir  Ir6  1  0.944  0.250  0.887  1.0
  Ir  Ir7  1  0.168  0.250  0.335  1.0
[/CIF]
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