The material structure described by Pd3N is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Pd(1) is bonded in a distorted bent 120 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 49°. is represented by the CIF card [CIF]
data_Pd3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   4.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   109.510
_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
  Pd  Pd0  1  0.331  0.331  0.000  1.0
  Pd  Pd1  1  0.669  0.000  0.000  1.0
  Pd  Pd2  1  0.000  0.669  0.000  1.0
  Pd  Pd3  1  0.669  0.669  0.500  1.0
  Pd  Pd4  1  0.331  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.331  0.500  1.0
  N  N6  1  0.333  0.667  0.750  1.0
  N  N7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Pd3N is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Pd(1) is bonded in a distorted bent 120 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 49°. is represented by the CIF card [CIF]
data_Pd3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   4.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   109.510
_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
  Pd  Pd0  1  0.331  0.331  0.000  1.0
  Pd  Pd1  1  0.669  0.000  0.000  1.0
  Pd  Pd2  1  0.000  0.669  0.000  1.0
  Pd  Pd3  1  0.669  0.669  0.500  1.0
  Pd  Pd4  1  0.331  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.331  0.500  1.0
  N  N6  1  0.333  0.667  0.750  1.0
  N  N7  1  0.667  0.333  0.250  1.0
[/CIF]
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