The crystal structure described by IrZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ir(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form IrZn12 cuboctahedra that share corners with four equivalent Ir(1)Zn12 cuboctahedra, edges with eight equivalent Ir(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Ir4 cuboctahedra, faces with four equivalent Ir(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Ir4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ir(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnZn8Ir4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Ir4 cuboctahedra, faces with four equivalent Ir(1)Zn12 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Ir4 cuboctahedra. In the second Zn site, Zn(2) is bonded in a distorted square co-planar geometry to four equivalent Ir(1) and eight equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.785
_cell_length_b   4.785
_cell_length_c   4.785
_cell_angle_alpha   134.672
_cell_angle_beta   134.672
_cell_angle_gamma   66.040
_symmetry_Int_Tables_number   1
_cell_volume   54.553
_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
  Zn  Zn0  1  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by IrZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ir(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form IrZn12 cuboctahedra that share corners with four equivalent Ir(1)Zn12 cuboctahedra, edges with eight equivalent Ir(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Ir4 cuboctahedra, faces with four equivalent Ir(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Ir4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ir(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnZn8Ir4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Ir4 cuboctahedra, faces with four equivalent Ir(1)Zn12 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Ir4 cuboctahedra. In the second Zn site, Zn(2) is bonded in a distorted square co-planar geometry to four equivalent Ir(1) and eight equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.785
_cell_length_b   4.785
_cell_length_c   4.785
_cell_angle_alpha   134.672
_cell_angle_beta   134.672
_cell_angle_gamma   66.040
_symmetry_Int_Tables_number   1
_cell_volume   54.553
_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
  Zn  Zn0  1  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
[/CIF]
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