The compound described by Pd5Ba crystallizes in the hexagonal P6/mmm space group. Ba(1) is bonded in a 18-coordinate geometry to six equivalent Pd(2) and twelve equivalent Pd(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Ba(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form a mixture of edge, face, and corner-sharing PdBa4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to three equivalent Ba(1) and six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_BaPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.587
_cell_length_c   4.325
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   116.920
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.333  0.667  0.000  1.0
  Pd  Pd3  1  0.667  0.333  0.000  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
[/CIF]
.
The compound described by Pd5Ba crystallizes in the hexagonal P6/mmm space group. Ba(1) is bonded in a 18-coordinate geometry to six equivalent Pd(2) and twelve equivalent Pd(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Ba(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form a mixture of edge, face, and corner-sharing PdBa4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to three equivalent Ba(1) and six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_BaPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.587
_cell_length_c   4.325
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   116.920
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.333  0.667  0.000  1.0
  Pd  Pd3  1  0.667  0.333  0.000  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
[/CIF]
.