The material described by NbSe4 crystallizes in the tetragonal P4/mcc space group. Nb(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   6.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   229.626
_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
  Nb  Nb0  1  0.000  0.000  0.750  1.0
  Nb  Nb1  1  0.000  0.000  0.250  1.0
  Se  Se2  1  0.337  0.134  0.500  1.0
  Se  Se3  1  0.663  0.866  0.500  1.0
  Se  Se4  1  0.337  0.866  0.000  1.0
  Se  Se5  1  0.663  0.134  0.000  1.0
  Se  Se6  1  0.134  0.663  0.500  1.0
  Se  Se7  1  0.866  0.337  0.500  1.0
  Se  Se8  1  0.866  0.663  0.000  1.0
  Se  Se9  1  0.134  0.337  0.000  1.0
[/CIF]
.
The material described by NbSe4 crystallizes in the tetragonal P4/mcc space group. Nb(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   6.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   229.626
_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
  Nb  Nb0  1  0.000  0.000  0.750  1.0
  Nb  Nb1  1  0.000  0.000  0.250  1.0
  Se  Se2  1  0.337  0.134  0.500  1.0
  Se  Se3  1  0.663  0.866  0.500  1.0
  Se  Se4  1  0.337  0.866  0.000  1.0
  Se  Se5  1  0.663  0.134  0.000  1.0
  Se  Se6  1  0.134  0.663  0.500  1.0
  Se  Se7  1  0.866  0.337  0.500  1.0
  Se  Se8  1  0.866  0.663  0.000  1.0
  Se  Se9  1  0.134  0.337  0.000  1.0
[/CIF]
.