The crystal structure described by V4Ni2N crystallizes in the cubic Fd-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. In the second V site, V(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Ni(1) and two equivalent N(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to three equivalent V(1), six equivalent V(2), and three equivalent Ni(1) atoms. N(1) is bonded to six equivalent V(2) atoms to form corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 35°. is represented by the CIF card [CIF]
data_V4Ni2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.627
_cell_length_b   7.627
_cell_length_c   7.627
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   313.665
_cell_formula_units_Z   4
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  0.125  0.625  0.625  1.0
  V  V1  1  0.625  0.125  0.625  1.0
  V  V2  1  0.625  0.625  0.125  1.0
  V  V3  1  0.625  0.625  0.625  1.0
  V  V4  1  0.819  0.819  0.181  1.0
  V  V5  1  0.181  0.181  0.819  1.0
  V  V6  1  0.819  0.181  0.819  1.0
  V  V7  1  0.181  0.819  0.181  1.0
  V  V8  1  0.181  0.819  0.819  1.0
  V  V9  1  0.819  0.181  0.181  1.0
  V  V10  1  0.431  0.431  0.069  1.0
  V  V11  1  0.069  0.069  0.431  1.0
  V  V12  1  0.431  0.069  0.431  1.0
  V  V13  1  0.069  0.431  0.069  1.0
  V  V14  1  0.069  0.431  0.431  1.0
  V  V15  1  0.431  0.069  0.069  1.0
  Ni  Ni16  1  0.744  0.419  0.419  1.0
  Ni  Ni17  1  0.419  0.744  0.419  1.0
  Ni  Ni18  1  0.419  0.419  0.744  1.0
  Ni  Ni19  1  0.419  0.419  0.419  1.0
  Ni  Ni20  1  0.506  0.831  0.831  1.0
  Ni  Ni21  1  0.831  0.506  0.831  1.0
  Ni  Ni22  1  0.831  0.831  0.506  1.0
  Ni  Ni23  1  0.831  0.831  0.831  1.0
  N  N24  1  0.625  0.125  0.125  1.0
  N  N25  1  0.125  0.625  0.125  1.0
  N  N26  1  0.125  0.125  0.625  1.0
  N  N27  1  0.125  0.125  0.125  1.0
[/CIF]
.
The crystal structure described by V4Ni2N crystallizes in the cubic Fd-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. In the second V site, V(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Ni(1) and two equivalent N(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to three equivalent V(1), six equivalent V(2), and three equivalent Ni(1) atoms. N(1) is bonded to six equivalent V(2) atoms to form corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 35°. is represented by the CIF card [CIF]
data_V4Ni2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.627
_cell_length_b   7.627
_cell_length_c   7.627
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   313.665
_cell_formula_units_Z   4
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  0.125  0.625  0.625  1.0
  V  V1  1  0.625  0.125  0.625  1.0
  V  V2  1  0.625  0.625  0.125  1.0
  V  V3  1  0.625  0.625  0.625  1.0
  V  V4  1  0.819  0.819  0.181  1.0
  V  V5  1  0.181  0.181  0.819  1.0
  V  V6  1  0.819  0.181  0.819  1.0
  V  V7  1  0.181  0.819  0.181  1.0
  V  V8  1  0.181  0.819  0.819  1.0
  V  V9  1  0.819  0.181  0.181  1.0
  V  V10  1  0.431  0.431  0.069  1.0
  V  V11  1  0.069  0.069  0.431  1.0
  V  V12  1  0.431  0.069  0.431  1.0
  V  V13  1  0.069  0.431  0.069  1.0
  V  V14  1  0.069  0.431  0.431  1.0
  V  V15  1  0.431  0.069  0.069  1.0
  Ni  Ni16  1  0.744  0.419  0.419  1.0
  Ni  Ni17  1  0.419  0.744  0.419  1.0
  Ni  Ni18  1  0.419  0.419  0.744  1.0
  Ni  Ni19  1  0.419  0.419  0.419  1.0
  Ni  Ni20  1  0.506  0.831  0.831  1.0
  Ni  Ni21  1  0.831  0.506  0.831  1.0
  Ni  Ni22  1  0.831  0.831  0.506  1.0
  Ni  Ni23  1  0.831  0.831  0.831  1.0
  N  N24  1  0.625  0.125  0.125  1.0
  N  N25  1  0.125  0.625  0.125  1.0
  N  N26  1  0.125  0.125  0.625  1.0
  N  N27  1  0.125  0.125  0.125  1.0
[/CIF]
.