The material described by PdAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pd(1) is bonded to twelve equivalent Au(1) atoms to form PdAu12 cuboctahedra that share corners with six equivalent Pd(1)Au12 cuboctahedra, corners with twelve equivalent Au(1)Pd4Au8 cuboctahedra, edges with eighteen equivalent Au(1)Pd4Au8 cuboctahedra, faces with eight equivalent Pd(1)Au12 cuboctahedra, and faces with twelve equivalent Au(1)Pd4Au8 cuboctahedra. Au(1) is bonded to four equivalent Pd(1) and eight equivalent Au(1) atoms to form distorted AuPd4Au8 cuboctahedra that share corners with four equivalent Pd(1)Au12 cuboctahedra, corners with fourteen equivalent Au(1)Pd4Au8 cuboctahedra, edges with six equivalent Pd(1)Au12 cuboctahedra, edges with twelve equivalent Au(1)Pd4Au8 cuboctahedra, faces with four equivalent Pd(1)Au12 cuboctahedra, and faces with sixteen equivalent Au(1)Pd4Au8 cuboctahedra. is represented by the CIF card [CIF]
data_PdAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.726
_cell_length_b   5.726
_cell_length_c   4.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   135.229
_cell_formula_units_Z   2
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
  Pd  Pd0  1  0.667  0.333  0.250  1.0
  Pd  Pd1  1  0.333  0.667  0.750  1.0
  Au  Au2  1  0.832  0.168  0.750  1.0
  Au  Au3  1  0.336  0.168  0.750  1.0
  Au  Au4  1  0.832  0.664  0.750  1.0
  Au  Au5  1  0.168  0.832  0.250  1.0
  Au  Au6  1  0.664  0.832  0.250  1.0
  Au  Au7  1  0.168  0.336  0.250  1.0
[/CIF]
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The material described by PdAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pd(1) is bonded to twelve equivalent Au(1) atoms to form PdAu12 cuboctahedra that share corners with six equivalent Pd(1)Au12 cuboctahedra, corners with twelve equivalent Au(1)Pd4Au8 cuboctahedra, edges with eighteen equivalent Au(1)Pd4Au8 cuboctahedra, faces with eight equivalent Pd(1)Au12 cuboctahedra, and faces with twelve equivalent Au(1)Pd4Au8 cuboctahedra. Au(1) is bonded to four equivalent Pd(1) and eight equivalent Au(1) atoms to form distorted AuPd4Au8 cuboctahedra that share corners with four equivalent Pd(1)Au12 cuboctahedra, corners with fourteen equivalent Au(1)Pd4Au8 cuboctahedra, edges with six equivalent Pd(1)Au12 cuboctahedra, edges with twelve equivalent Au(1)Pd4Au8 cuboctahedra, faces with four equivalent Pd(1)Au12 cuboctahedra, and faces with sixteen equivalent Au(1)Pd4Au8 cuboctahedra. is represented by the CIF card [CIF]
data_PdAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.726
_cell_length_b   5.726
_cell_length_c   4.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   135.229
_cell_formula_units_Z   2
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
  Pd  Pd0  1  0.667  0.333  0.250  1.0
  Pd  Pd1  1  0.333  0.667  0.750  1.0
  Au  Au2  1  0.832  0.168  0.750  1.0
  Au  Au3  1  0.336  0.168  0.750  1.0
  Au  Au4  1  0.832  0.664  0.750  1.0
  Au  Au5  1  0.168  0.832  0.250  1.0
  Au  Au6  1  0.664  0.832  0.250  1.0
  Au  Au7  1  0.168  0.336  0.250  1.0
[/CIF]
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