The structure described by VNiN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to six equivalent N(1) atoms to form distorted VN6 pentagonal pyramids that share corners with six equivalent Ni(1)N6 octahedra, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent V(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. Ni(1) is bonded to six equivalent N(1) atoms to form NiN6 octahedra that share corners with six equivalent V(1)N6 pentagonal pyramids, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent V(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent V(1) and three equivalent Ni(1) atoms to form a mixture of face, corner, and edge-sharing NV3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. is represented by the CIF card [CIF]
data_VNiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.859
_cell_length_b   2.859
_cell_length_c   9.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   69.581
_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
  V  V0  1  0.667  0.334  0.250  1.0
  V  V1  1  0.333  0.666  0.750  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.667  0.333  0.872  1.0
  N  N5  1  0.333  0.667  0.128  1.0
  N  N6  1  0.333  0.667  0.372  1.0
  N  N7  1  0.667  0.333  0.628  1.0
[/CIF]
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The structure described by VNiN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to six equivalent N(1) atoms to form distorted VN6 pentagonal pyramids that share corners with six equivalent Ni(1)N6 octahedra, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent V(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. Ni(1) is bonded to six equivalent N(1) atoms to form NiN6 octahedra that share corners with six equivalent V(1)N6 pentagonal pyramids, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent V(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent V(1) and three equivalent Ni(1) atoms to form a mixture of face, corner, and edge-sharing NV3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. is represented by the CIF card [CIF]
data_VNiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.859
_cell_length_b   2.859
_cell_length_c   9.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   69.581
_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
  V  V0  1  0.667  0.334  0.250  1.0
  V  V1  1  0.333  0.666  0.750  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.667  0.333  0.872  1.0
  N  N5  1  0.333  0.667  0.128  1.0
  N  N6  1  0.333  0.667  0.372  1.0
  N  N7  1  0.667  0.333  0.628  1.0
[/CIF]
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