The crystal structure described by CoMo2S4 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Mo(1) and two equivalent Co(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.402
_cell_length_b   6.402
_cell_length_c   5.938
_cell_angle_alpha   66.007
_cell_angle_beta   66.007
_cell_angle_gamma   29.013
_symmetry_Int_Tables_number   1
_cell_volume   107.131
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.261  0.261  0.683  1.0
  Mo  Mo2  1  0.739  0.739  0.317  1.0
  S  S3  1  0.902  0.902  0.428  1.0
  S  S4  1  0.098  0.098  0.572  1.0
  S  S5  1  0.632  0.632  0.024  1.0
  S  S6  1  0.368  0.368  0.976  1.0
[/CIF]
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The crystal structure described by CoMo2S4 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Mo(1) and two equivalent Co(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.402
_cell_length_b   6.402
_cell_length_c   5.938
_cell_angle_alpha   66.007
_cell_angle_beta   66.007
_cell_angle_gamma   29.013
_symmetry_Int_Tables_number   1
_cell_volume   107.131
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.261  0.261  0.683  1.0
  Mo  Mo2  1  0.739  0.739  0.317  1.0
  S  S3  1  0.902  0.902  0.428  1.0
  S  S4  1  0.098  0.098  0.572  1.0
  S  S5  1  0.632  0.632  0.024  1.0
  S  S6  1  0.368  0.368  0.976  1.0
[/CIF]
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