The material described by Nb2VSe4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. V(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form edge-sharing VSe6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Nb(1) and two equivalent V(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to three equivalent Nb(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Nb2VSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.552
_cell_length_b   6.362
_cell_length_c   7.146
_cell_angle_alpha   115.074
_cell_angle_beta   104.392
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.656
_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
  Nb  Nb0  1  0.108  0.702  0.215  1.0
  Nb  Nb1  1  0.620  0.345  0.240  1.0
  V  V2  1  0.364  0.023  0.728  1.0
  Se  Se3  1  0.001  0.002  0.002  1.0
  Se  Se4  1  0.262  0.576  0.524  1.0
  Se  Se5  1  0.466  0.471  0.931  1.0
  Se  Se6  1  0.727  0.045  0.454  1.0
[/CIF]
.
The material described by Nb2VSe4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. V(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form edge-sharing VSe6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Nb(1) and two equivalent V(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to three equivalent Nb(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Nb2VSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.552
_cell_length_b   6.362
_cell_length_c   7.146
_cell_angle_alpha   115.074
_cell_angle_beta   104.392
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.656
_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
  Nb  Nb0  1  0.108  0.702  0.215  1.0
  Nb  Nb1  1  0.620  0.345  0.240  1.0
  V  V2  1  0.364  0.023  0.728  1.0
  Se  Se3  1  0.001  0.002  0.002  1.0
  Se  Se4  1  0.262  0.576  0.524  1.0
  Se  Se5  1  0.466  0.471  0.931  1.0
  Se  Se6  1  0.727  0.045  0.454  1.0
[/CIF]
.