The material described by PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Pd(1) is bonded to six equivalent P(1) atoms to form PdP6 octahedra that share corners with six equivalent Pd(1)P6 octahedra and corners with twelve equivalent P(1)P2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. P(1) is bonded to two equivalent Pd(1) and two equivalent P(1) atoms to form PP2Pd2 tetrahedra that share corners with four equivalent Pd(1)P6 octahedra, corners with ten equivalent P(1)P2Pd2 tetrahedra, and  an edgeedge with one P(1)P2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF file [CIF]
data_P3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.121
_cell_length_b   7.121
_cell_length_c   7.121
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   277.961
_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
  P  P0  1  0.865  0.636  0.501  1.0
  P  P1  1  0.135  0.364  0.499  1.0
  P  P2  1  0.135  0.636  0.771  1.0
  P  P3  1  0.865  0.364  0.229  1.0
  P  P4  1  0.636  0.501  0.865  1.0
  P  P5  1  0.364  0.499  0.135  1.0
  P  P6  1  0.636  0.771  0.135  1.0
  P  P7  1  0.364  0.229  0.865  1.0
  P  P8  1  0.501  0.865  0.636  1.0
  P  P9  1  0.499  0.135  0.364  1.0
  P  P10  1  0.771  0.135  0.636  1.0
  P  P11  1  0.229  0.865  0.364  1.0
  Pd  Pd12  1  0.500  0.500  0.500  1.0
  Pd  Pd13  1  0.500  0.000  0.000  1.0
  Pd  Pd14  1  0.000  0.500  0.000  1.0
  Pd  Pd15  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Pd(1) is bonded to six equivalent P(1) atoms to form PdP6 octahedra that share corners with six equivalent Pd(1)P6 octahedra and corners with twelve equivalent P(1)P2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. P(1) is bonded to two equivalent Pd(1) and two equivalent P(1) atoms to form PP2Pd2 tetrahedra that share corners with four equivalent Pd(1)P6 octahedra, corners with ten equivalent P(1)P2Pd2 tetrahedra, and  an edgeedge with one P(1)P2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF file [CIF]
data_P3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.121
_cell_length_b   7.121
_cell_length_c   7.121
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   277.961
_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
  P  P0  1  0.865  0.636  0.501  1.0
  P  P1  1  0.135  0.364  0.499  1.0
  P  P2  1  0.135  0.636  0.771  1.0
  P  P3  1  0.865  0.364  0.229  1.0
  P  P4  1  0.636  0.501  0.865  1.0
  P  P5  1  0.364  0.499  0.135  1.0
  P  P6  1  0.636  0.771  0.135  1.0
  P  P7  1  0.364  0.229  0.865  1.0
  P  P8  1  0.501  0.865  0.636  1.0
  P  P9  1  0.499  0.135  0.364  1.0
  P  P10  1  0.771  0.135  0.636  1.0
  P  P11  1  0.229  0.865  0.364  1.0
  Pd  Pd12  1  0.500  0.500  0.500  1.0
  Pd  Pd13  1  0.500  0.000  0.000  1.0
  Pd  Pd14  1  0.000  0.500  0.000  1.0
  Pd  Pd15  1  0.000  0.000  0.500  1.0
[/CIF]
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