The material structure described by PaPd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to twelve Pd(1,1,1) atoms to form PaPd12 cuboctahedra that share corners with six equivalent Pa(1)Pd12 cuboctahedra; corners with twelve Pd(1,1)Pa4Pd8 cuboctahedra; edges with eighteen Pd(1,1,1)Pa4Pd8 cuboctahedra; faces with eight equivalent Pa(1)Pd12 cuboctahedra; and faces with twelve Pd(1,1,1)Pa4Pd8 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Pa(1) and eight Pd(1,1,1) atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent Pa(1)Pd12 cuboctahedra; corners with fourteen Pd(1,1)Pa4Pd8 cuboctahedra; edges with six equivalent Pa(1)Pd12 cuboctahedra; edges with twelve Pd(1,1,1)Pa4Pd8 cuboctahedra; faces with four equivalent Pa(1)Pd12 cuboctahedra; and faces with sixteen Pd(1,1,1)Pa4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to four equivalent Pa(1) and eight Pd(1,1) atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent Pa(1)Pd12 cuboctahedra; corners with fourteen Pd(1,1)Pa4Pd8 cuboctahedra; edges with six equivalent Pa(1)Pd12 cuboctahedra; edges with twelve Pd(1,1)Pa4Pd8 cuboctahedra; faces with four equivalent Pa(1)Pd12 cuboctahedra; and faces with sixteen Pd(1,1,1)Pa4Pd8 cuboctahedra. In the third Pd site, Pd(1) is bonded to four equivalent Pa(1) and eight Pd(1,1) atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent Pa(1)Pd12 cuboctahedra; corners with fourteen Pd(1,1)Pa4Pd8 cuboctahedra; edges with six equivalent Pa(1)Pd12 cuboctahedra; edges with twelve Pd(1,1)Pa4Pd8 cuboctahedra; faces with four equivalent Pa(1)Pd12 cuboctahedra; and faces with sixteen Pd(1,1,1)Pa4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.687
_cell_length_b   5.687
_cell_length_c   5.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.553
_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
  Pa  Pa0  1  0.667  0.333  0.250  1.0
  Pa  Pa1  1  0.333  0.667  0.750  1.0
  Pd  Pd2  1  0.835  0.165  0.750  1.0
  Pd  Pd3  1  0.329  0.165  0.750  1.0
  Pd  Pd4  1  0.835  0.671  0.750  1.0
  Pd  Pd5  1  0.165  0.835  0.250  1.0
  Pd  Pd6  1  0.671  0.835  0.250  1.0
  Pd  Pd7  1  0.165  0.329  0.250  1.0
[/CIF]
.
The material structure described by PaPd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to twelve Pd(1,1,1) atoms to form PaPd12 cuboctahedra that share corners with six equivalent Pa(1)Pd12 cuboctahedra; corners with twelve Pd(1,1)Pa4Pd8 cuboctahedra; edges with eighteen Pd(1,1,1)Pa4Pd8 cuboctahedra; faces with eight equivalent Pa(1)Pd12 cuboctahedra; and faces with twelve Pd(1,1,1)Pa4Pd8 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Pa(1) and eight Pd(1,1,1) atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent Pa(1)Pd12 cuboctahedra; corners with fourteen Pd(1,1)Pa4Pd8 cuboctahedra; edges with six equivalent Pa(1)Pd12 cuboctahedra; edges with twelve Pd(1,1,1)Pa4Pd8 cuboctahedra; faces with four equivalent Pa(1)Pd12 cuboctahedra; and faces with sixteen Pd(1,1,1)Pa4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to four equivalent Pa(1) and eight Pd(1,1) atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent Pa(1)Pd12 cuboctahedra; corners with fourteen Pd(1,1)Pa4Pd8 cuboctahedra; edges with six equivalent Pa(1)Pd12 cuboctahedra; edges with twelve Pd(1,1)Pa4Pd8 cuboctahedra; faces with four equivalent Pa(1)Pd12 cuboctahedra; and faces with sixteen Pd(1,1,1)Pa4Pd8 cuboctahedra. In the third Pd site, Pd(1) is bonded to four equivalent Pa(1) and eight Pd(1,1) atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent Pa(1)Pd12 cuboctahedra; corners with fourteen Pd(1,1)Pa4Pd8 cuboctahedra; edges with six equivalent Pa(1)Pd12 cuboctahedra; edges with twelve Pd(1,1)Pa4Pd8 cuboctahedra; faces with four equivalent Pa(1)Pd12 cuboctahedra; and faces with sixteen Pd(1,1,1)Pa4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.687
_cell_length_b   5.687
_cell_length_c   5.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.553
_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
  Pa  Pa0  1  0.667  0.333  0.250  1.0
  Pa  Pa1  1  0.333  0.667  0.750  1.0
  Pd  Pd2  1  0.835  0.165  0.750  1.0
  Pd  Pd3  1  0.329  0.165  0.750  1.0
  Pd  Pd4  1  0.835  0.671  0.750  1.0
  Pd  Pd5  1  0.165  0.835  0.250  1.0
  Pd  Pd6  1  0.671  0.835  0.250  1.0
  Pd  Pd7  1  0.165  0.329  0.250  1.0
[/CIF]
.