The structure described by NbSI crystallizes in the cubic F-43m space group. Nb(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent I(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Nb(1) atoms. I(1) is bonded in a trigonal non-coplanar geometry to three equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_NbSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.664
_cell_length_b   7.664
_cell_length_c   7.664
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   318.267
_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  0.347  0.347  0.347  1.0
  Nb  Nb1  1  0.347  0.347  0.958  1.0
  Nb  Nb2  1  0.347  0.958  0.347  1.0
  Nb  Nb3  1  0.958  0.347  0.347  1.0
  S  S4  1  0.126  0.126  0.126  1.0
  S  S5  1  0.126  0.126  0.622  1.0
  S  S6  1  0.126  0.622  0.126  1.0
  S  S7  1  0.622  0.126  0.126  1.0
  I  I8  1  0.624  0.624  0.624  1.0
  I  I9  1  0.624  0.624  0.129  1.0
  I  I10  1  0.624  0.129  0.624  1.0
  I  I11  1  0.129  0.624  0.624  1.0
[/CIF]
.
The structure described by NbSI crystallizes in the cubic F-43m space group. Nb(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent I(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Nb(1) atoms. I(1) is bonded in a trigonal non-coplanar geometry to three equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_NbSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.664
_cell_length_b   7.664
_cell_length_c   7.664
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   318.267
_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  0.347  0.347  0.347  1.0
  Nb  Nb1  1  0.347  0.347  0.958  1.0
  Nb  Nb2  1  0.347  0.958  0.347  1.0
  Nb  Nb3  1  0.958  0.347  0.347  1.0
  S  S4  1  0.126  0.126  0.126  1.0
  S  S5  1  0.126  0.126  0.622  1.0
  S  S6  1  0.126  0.622  0.126  1.0
  S  S7  1  0.622  0.126  0.126  1.0
  I  I8  1  0.624  0.624  0.624  1.0
  I  I9  1  0.624  0.624  0.129  1.0
  I  I10  1  0.624  0.129  0.624  1.0
  I  I11  1  0.129  0.624  0.624  1.0
[/CIF]
.