The crystal structure described by CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pmn2_1 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 eight equivalent Co(1)Sb3S3 octahedra, corners with three equivalent Sb(1)Co3S tetrahedra, corners with three equivalent S(1)Co3Sb tetrahedra, and edges with two equivalent Co(1)Sb3S3 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. Sb(1) is bonded to three equivalent Co(1) and one S(1) atom to form SbCo3S tetrahedra that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent Sb(1)Co3S tetrahedra, corners with seven equivalent S(1)Co3Sb tetrahedra, and  an edgeedge with one S(1)Co3Sb tetrahedra. The corner-sharing octahedral tilt angles range from 75-77°. S(1) is bonded to three equivalent Co(1) and one Sb(1) atom to form SCo3Sb tetrahedra that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent S(1)Co3Sb tetrahedra, corners with seven equivalent Sb(1)Co3S tetrahedra, and  an edgeedge with one Sb(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles range from 72-82°. is represented by the CIF card [CIF]
data_CoSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.624
_cell_length_b   4.838
_cell_length_c   5.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.910
_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
  Co  Co0  1  0.000  0.280  1.000  1.0
  Co  Co1  1  0.500  0.720  0.500  1.0
  Sb  Sb2  1  0.000  0.036  0.373  1.0
  Sb  Sb3  1  0.500  0.964  0.873  1.0
  S  S4  1  0.500  0.543  0.135  1.0
  S  S5  1  0.000  0.457  0.635  1.0
[/CIF]
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The crystal structure described by CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pmn2_1 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 eight equivalent Co(1)Sb3S3 octahedra, corners with three equivalent Sb(1)Co3S tetrahedra, corners with three equivalent S(1)Co3Sb tetrahedra, and edges with two equivalent Co(1)Sb3S3 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. Sb(1) is bonded to three equivalent Co(1) and one S(1) atom to form SbCo3S tetrahedra that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent Sb(1)Co3S tetrahedra, corners with seven equivalent S(1)Co3Sb tetrahedra, and  an edgeedge with one S(1)Co3Sb tetrahedra. The corner-sharing octahedral tilt angles range from 75-77°. S(1) is bonded to three equivalent Co(1) and one Sb(1) atom to form SCo3Sb tetrahedra that share corners with three equivalent Co(1)Sb3S3 octahedra, corners with six equivalent S(1)Co3Sb tetrahedra, corners with seven equivalent Sb(1)Co3S tetrahedra, and  an edgeedge with one Sb(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles range from 72-82°. is represented by the CIF card [CIF]
data_CoSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.624
_cell_length_b   4.838
_cell_length_c   5.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.910
_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
  Co  Co0  1  0.000  0.280  1.000  1.0
  Co  Co1  1  0.500  0.720  0.500  1.0
  Sb  Sb2  1  0.000  0.036  0.373  1.0
  Sb  Sb3  1  0.500  0.964  0.873  1.0
  S  S4  1  0.500  0.543  0.135  1.0
  S  S5  1  0.000  0.457  0.635  1.0
[/CIF]
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