The material structure described by CoSbS is Hausmannite-derived structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent Sb(1) and three equivalent S(1) atoms to form CoSb3S3 octahedra that share corners with twelve equivalent Co(1)Sb3S3 octahedra, corners with three equivalent Sb(1)Co3S trigonal pyramids, and corners with three equivalent S(1)Co3Sb trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. Sb(1) is bonded to three equivalent Co(1) and one S(1) atom to form distorted SbCo3S trigonal pyramids that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent Sb(1)Co3S trigonal pyramids, and corners with nine equivalent S(1)Co3Sb trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. S(1) is bonded to three equivalent Co(1) and one Sb(1) atom to form distorted SCo3Sb trigonal pyramids that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent S(1)Co3Sb trigonal pyramids, and corners with nine equivalent Sb(1)Co3S trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. is represented by the CIF file [CIF]
data_CoSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   5.810
_cell_length_c   5.810
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.140
_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
  Co  Co0  1  0.483  0.983  0.517  1.0
  Co  Co1  1  0.983  0.517  0.483  1.0
  Co  Co2  1  0.517  0.483  0.983  1.0
  Co  Co3  1  0.017  0.017  0.017  1.0
  Sb  Sb4  1  0.127  0.627  0.873  1.0
  Sb  Sb5  1  0.627  0.873  0.127  1.0
  Sb  Sb6  1  0.873  0.127  0.627  1.0
  Sb  Sb7  1  0.373  0.373  0.373  1.0
  S  S8  1  0.878  0.378  0.122  1.0
  S  S9  1  0.378  0.122  0.878  1.0
  S  S10  1  0.122  0.878  0.378  1.0
  S  S11  1  0.622  0.622  0.622  1.0
[/CIF]
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The material structure described by CoSbS is Hausmannite-derived structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent Sb(1) and three equivalent S(1) atoms to form CoSb3S3 octahedra that share corners with twelve equivalent Co(1)Sb3S3 octahedra, corners with three equivalent Sb(1)Co3S trigonal pyramids, and corners with three equivalent S(1)Co3Sb trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. Sb(1) is bonded to three equivalent Co(1) and one S(1) atom to form distorted SbCo3S trigonal pyramids that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent Sb(1)Co3S trigonal pyramids, and corners with nine equivalent S(1)Co3Sb trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. S(1) is bonded to three equivalent Co(1) and one Sb(1) atom to form distorted SCo3Sb trigonal pyramids that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent S(1)Co3Sb trigonal pyramids, and corners with nine equivalent Sb(1)Co3S trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. is represented by the CIF file [CIF]
data_CoSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   5.810
_cell_length_c   5.810
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.140
_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
  Co  Co0  1  0.483  0.983  0.517  1.0
  Co  Co1  1  0.983  0.517  0.483  1.0
  Co  Co2  1  0.517  0.483  0.983  1.0
  Co  Co3  1  0.017  0.017  0.017  1.0
  Sb  Sb4  1  0.127  0.627  0.873  1.0
  Sb  Sb5  1  0.627  0.873  0.127  1.0
  Sb  Sb6  1  0.873  0.127  0.627  1.0
  Sb  Sb7  1  0.373  0.373  0.373  1.0
  S  S8  1  0.878  0.378  0.122  1.0
  S  S9  1  0.378  0.122  0.878  1.0
  S  S10  1  0.122  0.878  0.378  1.0
  S  S11  1  0.622  0.622  0.622  1.0
[/CIF]
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