The material described by Pd5SbAs crystallizes in the cubic Fd-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Pd(2), two equivalent Sb(1), and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to six equivalent Pd(1) and three equivalent Sb(1) atoms. Sb(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form SbPd12 cuboctahedra that share edges with six equivalent As(1)Pd6 octahedra and faces with six equivalent Sb(1)Pd12 cuboctahedra. As(1) is bonded to six equivalent Pd(1) atoms to form AsPd6 octahedra that share corners with six equivalent As(1)Pd6 octahedra and edges with six equivalent Sb(1)Pd12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF file [CIF]
data_SbAsPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.782
_cell_length_b   8.782
_cell_length_c   8.782
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   478.881
_cell_formula_units_Z   4
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
  Sb  Sb0  1  0.625  0.625  0.625  1.0
  Sb  Sb1  1  0.125  0.625  0.625  1.0
  Sb  Sb2  1  0.625  0.125  0.625  1.0
  Sb  Sb3  1  0.625  0.625  0.125  1.0
  As  As4  1  0.125  0.125  0.125  1.0
  As  As5  1  0.625  0.125  0.125  1.0
  As  As6  1  0.125  0.625  0.125  1.0
  As  As7  1  0.125  0.125  0.625  1.0
  Pd  Pd8  1  0.786  0.214  0.786  1.0
  Pd  Pd9  1  0.036  0.464  0.464  1.0
  Pd  Pd10  1  0.464  0.036  0.036  1.0
  Pd  Pd11  1  0.036  0.464  0.036  1.0
  Pd  Pd12  1  0.464  0.464  0.036  1.0
  Pd  Pd13  1  0.036  0.036  0.464  1.0
  Pd  Pd14  1  0.786  0.786  0.214  1.0
  Pd  Pd15  1  0.214  0.786  0.786  1.0
  Pd  Pd16  1  0.786  0.214  0.214  1.0
  Pd  Pd17  1  0.214  0.214  0.786  1.0
  Pd  Pd18  1  0.464  0.036  0.464  1.0
  Pd  Pd19  1  0.214  0.786  0.214  1.0
  Pd  Pd20  1  0.839  0.839  0.839  1.0
  Pd  Pd21  1  0.768  0.411  0.411  1.0
  Pd  Pd22  1  0.411  0.768  0.411  1.0
  Pd  Pd23  1  0.411  0.411  0.768  1.0
  Pd  Pd24  1  0.839  0.482  0.839  1.0
  Pd  Pd25  1  0.839  0.839  0.482  1.0
  Pd  Pd26  1  0.482  0.839  0.839  1.0
  Pd  Pd27  1  0.411  0.411  0.411  1.0
[/CIF]
.
The material described by Pd5SbAs crystallizes in the cubic Fd-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Pd(2), two equivalent Sb(1), and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to six equivalent Pd(1) and three equivalent Sb(1) atoms. Sb(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form SbPd12 cuboctahedra that share edges with six equivalent As(1)Pd6 octahedra and faces with six equivalent Sb(1)Pd12 cuboctahedra. As(1) is bonded to six equivalent Pd(1) atoms to form AsPd6 octahedra that share corners with six equivalent As(1)Pd6 octahedra and edges with six equivalent Sb(1)Pd12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF file [CIF]
data_SbAsPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.782
_cell_length_b   8.782
_cell_length_c   8.782
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   478.881
_cell_formula_units_Z   4
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
  Sb  Sb0  1  0.625  0.625  0.625  1.0
  Sb  Sb1  1  0.125  0.625  0.625  1.0
  Sb  Sb2  1  0.625  0.125  0.625  1.0
  Sb  Sb3  1  0.625  0.625  0.125  1.0
  As  As4  1  0.125  0.125  0.125  1.0
  As  As5  1  0.625  0.125  0.125  1.0
  As  As6  1  0.125  0.625  0.125  1.0
  As  As7  1  0.125  0.125  0.625  1.0
  Pd  Pd8  1  0.786  0.214  0.786  1.0
  Pd  Pd9  1  0.036  0.464  0.464  1.0
  Pd  Pd10  1  0.464  0.036  0.036  1.0
  Pd  Pd11  1  0.036  0.464  0.036  1.0
  Pd  Pd12  1  0.464  0.464  0.036  1.0
  Pd  Pd13  1  0.036  0.036  0.464  1.0
  Pd  Pd14  1  0.786  0.786  0.214  1.0
  Pd  Pd15  1  0.214  0.786  0.786  1.0
  Pd  Pd16  1  0.786  0.214  0.214  1.0
  Pd  Pd17  1  0.214  0.214  0.786  1.0
  Pd  Pd18  1  0.464  0.036  0.464  1.0
  Pd  Pd19  1  0.214  0.786  0.214  1.0
  Pd  Pd20  1  0.839  0.839  0.839  1.0
  Pd  Pd21  1  0.768  0.411  0.411  1.0
  Pd  Pd22  1  0.411  0.768  0.411  1.0
  Pd  Pd23  1  0.411  0.411  0.768  1.0
  Pd  Pd24  1  0.839  0.482  0.839  1.0
  Pd  Pd25  1  0.839  0.839  0.482  1.0
  Pd  Pd26  1  0.482  0.839  0.839  1.0
  Pd  Pd27  1  0.411  0.411  0.411  1.0
[/CIF]
.