The structure described by Nb4CoS8 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted NbS6 pentagonal pyramids that share corners with four equivalent Co(1)S6 octahedra and edges with four equivalent Nb(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with twelve equivalent Nb(1)S6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Nb(2), two equivalent Nb(1), and one Co(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb4CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   6.716
_cell_length_c   12.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   468.887
_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  0.013  0.506  0.250  1.0
  Nb  Nb1  1  0.987  0.494  0.750  1.0
  Nb  Nb2  1  0.494  0.506  0.250  1.0
  Nb  Nb3  1  0.506  0.494  0.750  1.0
  Nb  Nb4  1  0.494  0.987  0.250  1.0
  Nb  Nb5  1  0.506  0.013  0.750  1.0
  Nb  Nb6  1  0.000  0.000  0.250  1.0
  Nb  Nb7  1  1.000  0.000  0.750  1.0
  Co  Co8  1  0.000  0.000  1.000  1.0
  Co  Co9  1  0.000  1.000  0.500  1.0
  S  S10  1  0.333  0.167  0.120  1.0
  S  S11  1  0.667  0.833  0.880  1.0
  S  S12  1  0.833  0.167  0.120  1.0
  S  S13  1  0.667  0.833  0.620  1.0
  S  S14  1  0.167  0.833  0.880  1.0
  S  S15  1  0.333  0.167  0.380  1.0
  S  S16  1  0.833  0.667  0.120  1.0
  S  S17  1  0.167  0.833  0.620  1.0
  S  S18  1  0.167  0.333  0.880  1.0
  S  S19  1  0.833  0.167  0.380  1.0
  S  S20  1  0.167  0.333  0.620  1.0
  S  S21  1  0.833  0.667  0.380  1.0
  S  S22  1  0.333  0.667  0.117  1.0
  S  S23  1  0.667  0.333  0.883  1.0
  S  S24  1  0.667  0.333  0.617  1.0
  S  S25  1  0.333  0.667  0.383  1.0
[/CIF]
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The structure described by Nb4CoS8 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted NbS6 pentagonal pyramids that share corners with four equivalent Co(1)S6 octahedra and edges with four equivalent Nb(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with twelve equivalent Nb(1)S6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Nb(2), two equivalent Nb(1), and one Co(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb4CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   6.716
_cell_length_c   12.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   468.887
_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  0.013  0.506  0.250  1.0
  Nb  Nb1  1  0.987  0.494  0.750  1.0
  Nb  Nb2  1  0.494  0.506  0.250  1.0
  Nb  Nb3  1  0.506  0.494  0.750  1.0
  Nb  Nb4  1  0.494  0.987  0.250  1.0
  Nb  Nb5  1  0.506  0.013  0.750  1.0
  Nb  Nb6  1  0.000  0.000  0.250  1.0
  Nb  Nb7  1  1.000  0.000  0.750  1.0
  Co  Co8  1  0.000  0.000  1.000  1.0
  Co  Co9  1  0.000  1.000  0.500  1.0
  S  S10  1  0.333  0.167  0.120  1.0
  S  S11  1  0.667  0.833  0.880  1.0
  S  S12  1  0.833  0.167  0.120  1.0
  S  S13  1  0.667  0.833  0.620  1.0
  S  S14  1  0.167  0.833  0.880  1.0
  S  S15  1  0.333  0.167  0.380  1.0
  S  S16  1  0.833  0.667  0.120  1.0
  S  S17  1  0.167  0.833  0.620  1.0
  S  S18  1  0.167  0.333  0.880  1.0
  S  S19  1  0.833  0.167  0.380  1.0
  S  S20  1  0.167  0.333  0.620  1.0
  S  S21  1  0.833  0.667  0.380  1.0
  S  S22  1  0.333  0.667  0.117  1.0
  S  S23  1  0.667  0.333  0.883  1.0
  S  S24  1  0.667  0.333  0.617  1.0
  S  S25  1  0.333  0.667  0.383  1.0
[/CIF]
.