The structure described by NbPSe crystallizes in the orthorhombic Immm space group. Nb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent Se(1) atoms. P(1) is bonded in a 6-coordinate geometry to four equivalent Nb(1) and two equivalent P(1) atoms. Se(1) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing SeNb4 tetrahedra. is represented by the CIF file [CIF]
data_NbPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   6.973
_cell_length_c   6.973
_cell_angle_alpha   151.107
_cell_angle_beta   139.208
_cell_angle_gamma   50.757
_symmetry_Int_Tables_number   1
_cell_volume   106.543
_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  0.384  0.884  0.500  1.0
  Nb  Nb1  1  0.616  0.116  0.500  1.0
  P  P2  1  0.766  0.500  0.266  1.0
  P  P3  1  0.234  0.500  0.734  1.0
  Se  Se4  1  0.213  0.213  0.000  1.0
  Se  Se5  1  0.787  0.787  0.000  1.0
[/CIF]
.
The structure described by NbPSe crystallizes in the orthorhombic Immm space group. Nb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent Se(1) atoms. P(1) is bonded in a 6-coordinate geometry to four equivalent Nb(1) and two equivalent P(1) atoms. Se(1) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing SeNb4 tetrahedra. is represented by the CIF file [CIF]
data_NbPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   6.973
_cell_length_c   6.973
_cell_angle_alpha   151.107
_cell_angle_beta   139.208
_cell_angle_gamma   50.757
_symmetry_Int_Tables_number   1
_cell_volume   106.543
_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  0.384  0.884  0.500  1.0
  Nb  Nb1  1  0.616  0.116  0.500  1.0
  P  P2  1  0.766  0.500  0.266  1.0
  P  P3  1  0.234  0.500  0.734  1.0
  Se  Se4  1  0.213  0.213  0.000  1.0
  Se  Se5  1  0.787  0.787  0.000  1.0
[/CIF]
.