The crystal structure described by Pd3Ir is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. Ir(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form IrPd12 cuboctahedra that share corners with four equivalent Ir(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Ir4Pd8 cuboctahedra, edges with eight equivalent Ir(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(1)Ir4Pd8 cuboctahedra, faces with four equivalent Ir(1)Pd12 cuboctahedra, faces with six equivalent Pd(2)Ir4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Ir4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Ir(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form PdIr4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Ir4Pd8 cuboctahedra, edges with eight equivalent Ir(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Ir4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Ir4Pd8 cuboctahedra, faces with four equivalent Ir(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ir4Pd8 cuboctahedra, and faces with ten equivalent Pd(1)Ir4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Ir(1) and eight equivalent Pd(1) atoms to form PdIr4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Ir4Pd8 cuboctahedra, corners with eight equivalent Ir(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Ir4Pd8 cuboctahedra, edges with sixteen equivalent Pd(1)Ir4Pd8 cuboctahedra, faces with four equivalent Pd(2)Ir4Pd8 cuboctahedra, faces with six equivalent Ir(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(1)Ir4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_IrPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.787
_cell_length_b   4.787
_cell_length_c   4.787
_cell_angle_alpha   131.408
_cell_angle_beta   131.408
_cell_angle_gamma   71.166
_symmetry_Int_Tables_number   1
_cell_volume   60.398
_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
  Ir  Ir0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Pd3Ir is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. Ir(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form IrPd12 cuboctahedra that share corners with four equivalent Ir(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Ir4Pd8 cuboctahedra, edges with eight equivalent Ir(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(1)Ir4Pd8 cuboctahedra, faces with four equivalent Ir(1)Pd12 cuboctahedra, faces with six equivalent Pd(2)Ir4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Ir4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Ir(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form PdIr4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Ir4Pd8 cuboctahedra, edges with eight equivalent Ir(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Ir4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Ir4Pd8 cuboctahedra, faces with four equivalent Ir(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ir4Pd8 cuboctahedra, and faces with ten equivalent Pd(1)Ir4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Ir(1) and eight equivalent Pd(1) atoms to form PdIr4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Ir4Pd8 cuboctahedra, corners with eight equivalent Ir(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Ir4Pd8 cuboctahedra, edges with sixteen equivalent Pd(1)Ir4Pd8 cuboctahedra, faces with four equivalent Pd(2)Ir4Pd8 cuboctahedra, faces with six equivalent Ir(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(1)Ir4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_IrPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.787
_cell_length_b   4.787
_cell_length_c   4.787
_cell_angle_alpha   131.408
_cell_angle_beta   131.408
_cell_angle_gamma   71.166
_symmetry_Int_Tables_number   1
_cell_volume   60.398
_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
  Ir  Ir0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
[/CIF]
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