The material structure described by Fe2(PdAu)3 crystallizes in the orthorhombic Pmmm space group. Fe(1) is bonded to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent Au(2), and four equivalent Au(1) atoms to form FePd6Au6 cuboctahedra that share corners with twelve equivalent Fe(1)Pd6Au6 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra, and faces with six equivalent Fe(1)Pd6Au6 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Fe(1), four equivalent Pd(3), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Fe(1), four equivalent Au(1), and four equivalent Au(2) atoms to form PdFe4Au8 cuboctahedra that share corners with four equivalent Pd(2)Fe4Au8 cuboctahedra, corners with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the third Pd site, Pd(3) is bonded to four equivalent Fe(1), four equivalent Pd(1), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Fe(1), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Au(2) atoms to form distorted AuFe4Pd6Au2 cuboctahedra that share corners with twelve equivalent Au(1)Fe4Pd6Au2 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, and faces with six equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Fe(1), four equivalent Pd(2), and four equivalent Au(1) atoms to form distorted AuFe4Pd4Au4 cuboctahedra that share corners with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. is represented by the CIF file [CIF]
data_Fe2(PdAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   3.989
_cell_length_c   7.783
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.700
_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
  Fe  Fe0  1  0.000  0.000  0.741  1.0
  Fe  Fe1  1  0.000  0.000  0.259  1.0
  Pd  Pd2  1  0.500  0.000  0.500  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Au  Au5  1  0.500  0.500  0.747  1.0
  Au  Au6  1  0.500  0.500  0.253  1.0
  Au  Au7  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by Fe2(PdAu)3 crystallizes in the orthorhombic Pmmm space group. Fe(1) is bonded to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent Au(2), and four equivalent Au(1) atoms to form FePd6Au6 cuboctahedra that share corners with twelve equivalent Fe(1)Pd6Au6 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra, and faces with six equivalent Fe(1)Pd6Au6 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Fe(1), four equivalent Pd(3), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Fe(1), four equivalent Au(1), and four equivalent Au(2) atoms to form PdFe4Au8 cuboctahedra that share corners with four equivalent Pd(2)Fe4Au8 cuboctahedra, corners with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the third Pd site, Pd(3) is bonded to four equivalent Fe(1), four equivalent Pd(1), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Fe(1), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Au(2) atoms to form distorted AuFe4Pd6Au2 cuboctahedra that share corners with twelve equivalent Au(1)Fe4Pd6Au2 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, and faces with six equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Fe(1), four equivalent Pd(2), and four equivalent Au(1) atoms to form distorted AuFe4Pd4Au4 cuboctahedra that share corners with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. is represented by the CIF file [CIF]
data_Fe2(PdAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   3.989
_cell_length_c   7.783
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.700
_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
  Fe  Fe0  1  0.000  0.000  0.741  1.0
  Fe  Fe1  1  0.000  0.000  0.259  1.0
  Pd  Pd2  1  0.500  0.000  0.500  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Au  Au5  1  0.500  0.500  0.747  1.0
  Au  Au6  1  0.500  0.500  0.253  1.0
  Au  Au7  1  0.500  0.000  0.000  1.0
[/CIF]
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