The material structure described by CoS2 is Pyrite-like structured and crystallizes in the orthorhombic Pbca space group. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with twelve equivalent Co(1)S6 octahedra and corners with six equivalent S(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. S(1) is bonded to three equivalent Co(1) and one S(1) atom to form distorted SCo3S tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with fifteen equivalent S(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.568
_cell_length_c   5.539
_cell_angle_alpha   90.000
_cell_angle_beta   89.987
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.940
_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  0.000  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  S  S4  1  0.387  0.388  0.389  1.0
  S  S5  1  0.387  0.112  0.889  1.0
  S  S6  1  0.887  0.112  0.612  1.0
  S  S7  1  0.113  0.612  0.888  1.0
  S  S8  1  0.613  0.888  0.111  1.0
  S  S9  1  0.113  0.888  0.388  1.0
  S  S10  1  0.887  0.388  0.112  1.0
  S  S11  1  0.613  0.612  0.611  1.0
[/CIF]
.
The material structure described by CoS2 is Pyrite-like structured and crystallizes in the orthorhombic Pbca space group. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with twelve equivalent Co(1)S6 octahedra and corners with six equivalent S(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. S(1) is bonded to three equivalent Co(1) and one S(1) atom to form distorted SCo3S tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with fifteen equivalent S(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.568
_cell_length_c   5.539
_cell_angle_alpha   90.000
_cell_angle_beta   89.987
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.940
_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  0.000  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  S  S4  1  0.387  0.388  0.389  1.0
  S  S5  1  0.387  0.112  0.889  1.0
  S  S6  1  0.887  0.112  0.612  1.0
  S  S7  1  0.113  0.612  0.888  1.0
  S  S8  1  0.613  0.888  0.111  1.0
  S  S9  1  0.113  0.888  0.388  1.0
  S  S10  1  0.887  0.388  0.112  1.0
  S  S11  1  0.613  0.612  0.611  1.0
[/CIF]
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