The compound described by Co9S8 crystallizes in the cubic Fm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(2) and three equivalent S(1) atoms to form CoS4 tetrahedra that share corners with three equivalent Co(2)S6 octahedra, corners with six equivalent Co(1)S4 tetrahedra, and edges with three equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Co site, Co(2) is bonded to six equivalent S(1) atoms to form corner-sharing CoS6 octahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a tetrahedral geometry to four equivalent Co(1) atoms. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Co(2) and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co9S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.871
_cell_length_b   6.871
_cell_length_c   6.871
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.358
_cell_formula_units_Z   1
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
  Co  Co0  1  0.126  0.126  0.621  1.0
  Co  Co1  1  0.126  0.126  0.126  1.0
  Co  Co2  1  0.874  0.874  0.874  1.0
  Co  Co3  1  0.874  0.874  0.379  1.0
  Co  Co4  1  0.379  0.874  0.874  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.874  0.379  0.874  1.0
  Co  Co7  1  0.126  0.621  0.126  1.0
  Co  Co8  1  0.621  0.126  0.126  1.0
  S  S9  1  0.739  0.261  0.261  1.0
  S  S10  1  0.261  0.739  0.739  1.0
  S  S11  1  0.261  0.739  0.261  1.0
  S  S12  1  0.739  0.261  0.739  1.0
  S  S13  1  0.261  0.261  0.739  1.0
  S  S14  1  0.739  0.739  0.261  1.0
  S  S15  1  0.750  0.750  0.750  1.0
  S  S16  1  0.250  0.250  0.250  1.0
[/CIF]
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The compound described by Co9S8 crystallizes in the cubic Fm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(2) and three equivalent S(1) atoms to form CoS4 tetrahedra that share corners with three equivalent Co(2)S6 octahedra, corners with six equivalent Co(1)S4 tetrahedra, and edges with three equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Co site, Co(2) is bonded to six equivalent S(1) atoms to form corner-sharing CoS6 octahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a tetrahedral geometry to four equivalent Co(1) atoms. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Co(2) and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co9S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.871
_cell_length_b   6.871
_cell_length_c   6.871
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.358
_cell_formula_units_Z   1
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
  Co  Co0  1  0.126  0.126  0.621  1.0
  Co  Co1  1  0.126  0.126  0.126  1.0
  Co  Co2  1  0.874  0.874  0.874  1.0
  Co  Co3  1  0.874  0.874  0.379  1.0
  Co  Co4  1  0.379  0.874  0.874  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.874  0.379  0.874  1.0
  Co  Co7  1  0.126  0.621  0.126  1.0
  Co  Co8  1  0.621  0.126  0.126  1.0
  S  S9  1  0.739  0.261  0.261  1.0
  S  S10  1  0.261  0.739  0.739  1.0
  S  S11  1  0.261  0.739  0.261  1.0
  S  S12  1  0.739  0.261  0.739  1.0
  S  S13  1  0.261  0.261  0.739  1.0
  S  S14  1  0.739  0.739  0.261  1.0
  S  S15  1  0.750  0.750  0.750  1.0
  S  S16  1  0.250  0.250  0.250  1.0
[/CIF]
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