The material structure described by Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Pd(1) and four equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing PdPd4N4 tetrahedra. N(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pd3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.273
_cell_length_b   4.273
_cell_length_c   4.273
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   55.163
_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
  Pd  Pd0  1  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.750  0.750  0.750  1.0
  Pd  Pd2  1  0.250  0.250  0.250  1.0
  N  N3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Pd(1) and four equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing PdPd4N4 tetrahedra. N(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pd3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.273
_cell_length_b   4.273
_cell_length_c   4.273
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   55.163
_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
  Pd  Pd0  1  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.750  0.750  0.750  1.0
  Pd  Pd2  1  0.250  0.250  0.250  1.0
  N  N3  1  0.000  0.000  0.000  1.0
[/CIF]
.