The material structure described by NbPS crystallizes in the orthorhombic Immm space group. Nb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent S(1) atoms. P(1) is bonded in a 6-coordinate geometry to four equivalent Nb(1) and two equivalent P(1) atoms. S(1) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing SNb4 tetrahedra. is represented by the CIF file [CIF]
data_NbPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   150.179
_cell_angle_beta   138.699
_cell_angle_gamma   51.769
_symmetry_Int_Tables_number   1
_cell_volume   98.645
_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  0.376  0.876  0.500  1.0
  Nb  Nb1  1  0.624  0.124  0.500  1.0
  P  P2  1  0.764  0.500  0.264  1.0
  P  P3  1  0.236  0.500  0.736  1.0
  S  S4  1  0.213  0.213  0.000  1.0
  S  S5  1  0.787  0.787  0.000  1.0
[/CIF]
.
The material structure described by NbPS crystallizes in the orthorhombic Immm space group. Nb(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent S(1) atoms. P(1) is bonded in a 6-coordinate geometry to four equivalent Nb(1) and two equivalent P(1) atoms. S(1) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing SNb4 tetrahedra. is represented by the CIF file [CIF]
data_NbPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   150.179
_cell_angle_beta   138.699
_cell_angle_gamma   51.769
_symmetry_Int_Tables_number   1
_cell_volume   98.645
_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  0.376  0.876  0.500  1.0
  Nb  Nb1  1  0.624  0.124  0.500  1.0
  P  P2  1  0.764  0.500  0.264  1.0
  P  P3  1  0.236  0.500  0.736  1.0
  S  S4  1  0.213  0.213  0.000  1.0
  S  S5  1  0.787  0.787  0.000  1.0
[/CIF]
.