The material described by IrCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ir(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form IrCd12 cuboctahedra that share corners with four equivalent Ir(1)Cd12 cuboctahedra, edges with eight equivalent Ir(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Ir4 cuboctahedra, faces with four equivalent Ir(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Ir4 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Ir(1), four equivalent Cd(1), and four equivalent Cd(2) atoms to form distorted CdCd8Ir4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Cd12 cuboctahedra, edges with eight equivalent Cd(1)Cd8Ir4 cuboctahedra, faces with four equivalent Ir(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8Ir4 cuboctahedra. In the second Cd site, Cd(2) is bonded in a distorted square co-planar geometry to four equivalent Ir(1) and eight equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Cd3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.285
_cell_length_c   5.285
_cell_angle_alpha   134.107
_cell_angle_beta   134.107
_cell_angle_gamma   66.921
_symmetry_Int_Tables_number   1
_cell_volume   74.868
_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
  Cd  Cd0  1  0.750  0.250  0.500  1.0
  Cd  Cd1  1  0.250  0.750  0.500  1.0
  Cd  Cd2  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 material described by IrCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ir(1) is bonded to four equivalent Cd(2) and eight equivalent Cd(1) atoms to form IrCd12 cuboctahedra that share corners with four equivalent Ir(1)Cd12 cuboctahedra, edges with eight equivalent Ir(1)Cd12 cuboctahedra, edges with sixteen equivalent Cd(1)Cd8Ir4 cuboctahedra, faces with four equivalent Ir(1)Cd12 cuboctahedra, and faces with eight equivalent Cd(1)Cd8Ir4 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Ir(1), four equivalent Cd(1), and four equivalent Cd(2) atoms to form distorted CdCd8Ir4 cuboctahedra that share corners with twelve equivalent Cd(1)Cd8Ir4 cuboctahedra, edges with eight equivalent Ir(1)Cd12 cuboctahedra, edges with eight equivalent Cd(1)Cd8Ir4 cuboctahedra, faces with four equivalent Ir(1)Cd12 cuboctahedra, and faces with ten equivalent Cd(1)Cd8Ir4 cuboctahedra. In the second Cd site, Cd(2) is bonded in a distorted square co-planar geometry to four equivalent Ir(1) and eight equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Cd3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.285
_cell_length_c   5.285
_cell_angle_alpha   134.107
_cell_angle_beta   134.107
_cell_angle_gamma   66.921
_symmetry_Int_Tables_number   1
_cell_volume   74.868
_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
  Cd  Cd0  1  0.750  0.250  0.500  1.0
  Cd  Cd1  1  0.250  0.750  0.500  1.0
  Cd  Cd2  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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