The crystal structure described by NbNSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and five equivalent Se(1) atoms. N(1) is bonded to four equivalent Nb(1) atoms to form a mixture of edge and corner-sharing NNb4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbSeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   3.672
_cell_length_c   6.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.024
_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  0.500  0.000  0.173  1.0
  Nb  Nb1  1  0.000  0.500  0.827  1.0
  Se  Se2  1  0.500  0.000  0.619  1.0
  Se  Se3  1  0.000  0.500  0.381  1.0
  N  N4  1  0.500  0.500  0.000  1.0
  N  N5  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by NbNSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and five equivalent Se(1) atoms. N(1) is bonded to four equivalent Nb(1) atoms to form a mixture of edge and corner-sharing NNb4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbSeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   3.672
_cell_length_c   6.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.024
_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  0.500  0.000  0.173  1.0
  Nb  Nb1  1  0.000  0.500  0.827  1.0
  Se  Se2  1  0.500  0.000  0.619  1.0
  Se  Se3  1  0.000  0.500  0.381  1.0
  N  N4  1  0.500  0.500  0.000  1.0
  N  N5  1  0.000  0.000  0.000  1.0
[/CIF]
.