The material described by NbSe2 is trigonal omega-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of four niobium selenide molecules. Nb(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.438
_cell_length_b   3.438
_cell_length_c   29.274
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.591
_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
  Nb  Nb0  1  0.333  0.667  0.000  1.0
  Nb  Nb1  1  0.333  0.667  0.254  1.0
  Nb  Nb2  1  0.667  0.333  0.500  1.0
  Nb  Nb3  1  0.333  0.667  0.746  1.0
  Se  Se4  1  0.333  0.667  0.082  1.0
  Se  Se5  1  0.000  0.000  0.442  1.0
  Se  Se6  1  0.000  0.000  0.804  1.0
  Se  Se7  1  0.667  0.333  0.313  1.0
  Se  Se8  1  0.000  0.000  0.558  1.0
  Se  Se9  1  0.000  0.000  0.196  1.0
  Se  Se10  1  0.333  0.667  0.918  1.0
  Se  Se11  1  0.667  0.333  0.687  1.0
[/CIF]
.
The material described by NbSe2 is trigonal omega-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of four niobium selenide molecules. Nb(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.438
_cell_length_b   3.438
_cell_length_c   29.274
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.591
_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
  Nb  Nb0  1  0.333  0.667  0.000  1.0
  Nb  Nb1  1  0.333  0.667  0.254  1.0
  Nb  Nb2  1  0.667  0.333  0.500  1.0
  Nb  Nb3  1  0.333  0.667  0.746  1.0
  Se  Se4  1  0.333  0.667  0.082  1.0
  Se  Se5  1  0.000  0.000  0.442  1.0
  Se  Se6  1  0.000  0.000  0.804  1.0
  Se  Se7  1  0.667  0.333  0.313  1.0
  Se  Se8  1  0.000  0.000  0.558  1.0
  Se  Se9  1  0.000  0.000  0.196  1.0
  Se  Se10  1  0.333  0.667  0.918  1.0
  Se  Se11  1  0.667  0.333  0.687  1.0
[/CIF]
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