The material structure described by Pd3N is Skutterudite structured and crystallizes in the cubic Im-3 space group. Pd(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Pd(1) atoms to form corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pd3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   6.772
_cell_length_c   6.772
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   239.082
_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
  Pd  Pd0  1  0.189  0.876  0.687  1.0
  Pd  Pd1  1  0.811  0.124  0.313  1.0
  Pd  Pd2  1  0.811  0.498  0.687  1.0
  Pd  Pd3  1  0.189  0.502  0.313  1.0
  Pd  Pd4  1  0.876  0.687  0.189  1.0
  Pd  Pd5  1  0.124  0.313  0.811  1.0
  Pd  Pd6  1  0.498  0.687  0.811  1.0
  Pd  Pd7  1  0.502  0.313  0.189  1.0
  Pd  Pd8  1  0.687  0.189  0.876  1.0
  Pd  Pd9  1  0.313  0.811  0.124  1.0
  Pd  Pd10  1  0.687  0.811  0.498  1.0
  Pd  Pd11  1  0.313  0.189  0.502  1.0
  N  N12  1  0.000  0.000  0.500  1.0
  N  N13  1  0.500  0.000  0.000  1.0
  N  N14  1  0.000  0.500  0.000  1.0
  N  N15  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by Pd3N is Skutterudite structured and crystallizes in the cubic Im-3 space group. Pd(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Pd(1) atoms to form corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pd3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   6.772
_cell_length_c   6.772
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   239.082
_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
  Pd  Pd0  1  0.189  0.876  0.687  1.0
  Pd  Pd1  1  0.811  0.124  0.313  1.0
  Pd  Pd2  1  0.811  0.498  0.687  1.0
  Pd  Pd3  1  0.189  0.502  0.313  1.0
  Pd  Pd4  1  0.876  0.687  0.189  1.0
  Pd  Pd5  1  0.124  0.313  0.811  1.0
  Pd  Pd6  1  0.498  0.687  0.811  1.0
  Pd  Pd7  1  0.502  0.313  0.189  1.0
  Pd  Pd8  1  0.687  0.189  0.876  1.0
  Pd  Pd9  1  0.313  0.811  0.124  1.0
  Pd  Pd10  1  0.687  0.811  0.498  1.0
  Pd  Pd11  1  0.313  0.189  0.502  1.0
  N  N12  1  0.000  0.000  0.500  1.0
  N  N13  1  0.500  0.000  0.000  1.0
  N  N14  1  0.000  0.500  0.000  1.0
  N  N15  1  0.500  0.500  0.500  1.0
[/CIF]
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