The material structure described by Ni3N is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Ni(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Ni(1) atoms to form corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF card [CIF]
data_Ni3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.580
_cell_length_b   4.580
_cell_length_c   4.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   76.814
_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
  Ni  Ni0  1  0.000  0.672  0.500  1.0
  Ni  Ni1  1  0.000  0.328  0.000  1.0
  Ni  Ni2  1  0.672  0.672  0.000  1.0
  Ni  Ni3  1  0.672  0.000  0.500  1.0
  Ni  Ni4  1  0.328  0.328  0.500  1.0
  Ni  Ni5  1  0.328  0.000  0.000  1.0
  N  N6  1  0.667  0.333  0.750  1.0
  N  N7  1  0.333  0.667  0.250  1.0
[/CIF]
.
The material structure described by Ni3N is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Ni(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Ni(1) atoms to form corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF card [CIF]
data_Ni3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.580
_cell_length_b   4.580
_cell_length_c   4.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   76.814
_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
  Ni  Ni0  1  0.000  0.672  0.500  1.0
  Ni  Ni1  1  0.000  0.328  0.000  1.0
  Ni  Ni2  1  0.672  0.672  0.000  1.0
  Ni  Ni3  1  0.672  0.000  0.500  1.0
  Ni  Ni4  1  0.328  0.328  0.500  1.0
  Ni  Ni5  1  0.328  0.000  0.000  1.0
  N  N6  1  0.667  0.333  0.750  1.0
  N  N7  1  0.333  0.667  0.250  1.0
[/CIF]
.