The structure described by Ni4N3 crystallizes in the cubic Pm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. In the second Ni site, Ni(2) is bonded to six equivalent N(1) atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form a mixture of corner and edge-sharing NNi6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.961
_cell_length_c   3.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.151
_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
  Ni  Ni0  1  0.000  0.500  0.000  1.0
  Ni  Ni1  1  0.500  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.000  0.500  1.0
  N  N5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by Ni4N3 crystallizes in the cubic Pm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. In the second Ni site, Ni(2) is bonded to six equivalent N(1) atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form a mixture of corner and edge-sharing NNi6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.961
_cell_length_c   3.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.151
_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
  Ni  Ni0  1  0.000  0.500  0.000  1.0
  Ni  Ni1  1  0.500  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.000  0.500  1.0
  N  N5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.500  0.500  0.000  1.0
[/CIF]
.