The material described by V8N crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to four equivalent V(3) and one N(1) atom. In the second V site, V(3) is bonded in a distorted body-centered cubic geometry to two equivalent V(1), two equivalent V(2), and four equivalent V(3) atoms. In the third V site, V(2) is bonded in an L-shaped geometry to four equivalent V(3) and two equivalent N(1) atoms. N(1) is bonded to two equivalent V(1) and four equivalent V(2) atoms to form edge-sharing NV6 octahedra. is represented by the CIF file [CIF]
data_V8N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.965
_cell_length_b   8.685
_cell_length_c   8.685
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.658
_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  0.500  0.343  0.657  1.0
  V  V1  1  0.500  0.657  0.343  1.0
  V  V2  1  0.000  0.157  0.157  1.0
  V  V3  1  0.000  0.843  0.843  1.0
  V  V4  1  0.500  0.887  0.113  1.0
  V  V5  1  0.500  0.113  0.887  1.0
  V  V6  1  0.000  0.613  0.613  1.0
  V  V7  1  0.000  0.387  0.387  1.0
  V  V8  1  0.500  0.385  0.127  1.0
  V  V9  1  0.500  0.615  0.873  1.0
  V  V10  1  0.000  0.115  0.627  1.0
  V  V11  1  0.000  0.885  0.373  1.0
  V  V12  1  0.500  0.127  0.385  1.0
  V  V13  1  0.500  0.873  0.615  1.0
  V  V14  1  0.000  0.627  0.115  1.0
  V  V15  1  0.000  0.373  0.885  1.0
  N  N16  1  0.500  0.500  0.500  1.0
  N  N17  1  0.000  1.000  0.000  1.0
[/CIF]
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The material described by V8N crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to four equivalent V(3) and one N(1) atom. In the second V site, V(3) is bonded in a distorted body-centered cubic geometry to two equivalent V(1), two equivalent V(2), and four equivalent V(3) atoms. In the third V site, V(2) is bonded in an L-shaped geometry to four equivalent V(3) and two equivalent N(1) atoms. N(1) is bonded to two equivalent V(1) and four equivalent V(2) atoms to form edge-sharing NV6 octahedra. is represented by the CIF file [CIF]
data_V8N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.965
_cell_length_b   8.685
_cell_length_c   8.685
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.658
_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  0.500  0.343  0.657  1.0
  V  V1  1  0.500  0.657  0.343  1.0
  V  V2  1  0.000  0.157  0.157  1.0
  V  V3  1  0.000  0.843  0.843  1.0
  V  V4  1  0.500  0.887  0.113  1.0
  V  V5  1  0.500  0.113  0.887  1.0
  V  V6  1  0.000  0.613  0.613  1.0
  V  V7  1  0.000  0.387  0.387  1.0
  V  V8  1  0.500  0.385  0.127  1.0
  V  V9  1  0.500  0.615  0.873  1.0
  V  V10  1  0.000  0.115  0.627  1.0
  V  V11  1  0.000  0.885  0.373  1.0
  V  V12  1  0.500  0.127  0.385  1.0
  V  V13  1  0.500  0.873  0.615  1.0
  V  V14  1  0.000  0.627  0.115  1.0
  V  V15  1  0.000  0.373  0.885  1.0
  N  N16  1  0.500  0.500  0.500  1.0
  N  N17  1  0.000  1.000  0.000  1.0
[/CIF]
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