The crystal structure described by CoMo2S4 crystallizes in the monoclinic Cc space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(6), and one S(8) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(2)S6 octahedra, corners with four equivalent Co(1)S6 octahedra, edges with two equivalent Mo(2)S6 octahedra, edges with two equivalent Mo(3)S6 octahedra, edges with two equivalent Mo(4)S6 octahedra, and  a faceface with one Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Mo site, Mo(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(7) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(1)S6 octahedra, corners with four equivalent Co(2)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, edges with two equivalent Mo(3)S6 octahedra, edges with two equivalent Mo(4)S6 octahedra, and  a faceface with one Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third Mo site, Mo(3) is bonded to one S(1), one S(3), one S(5), one S(6), one S(7), and one S(8) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(2)S6 octahedra, corners with four equivalent Co(1)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, edges with two equivalent Mo(2)S6 octahedra, edges with two equivalent Mo(4)S6 octahedra, and  a faceface with one Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth Mo site, Mo(4) is bonded to one S(2), one S(4), one S(5), one S(6), one S(7), and one S(8) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(1)S6 octahedra, corners with four equivalent Co(2)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, edges with two equivalent Mo(2)S6 octahedra, edges with two equivalent Mo(3)S6 octahedra, and  a faceface with one Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(2), one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form CoS6 octahedra that share corners with two equivalent Mo(2)S6 octahedra, corners with two equivalent Mo(4)S6 octahedra, corners with four equivalent Mo(1)S6 octahedra, corners with four equivalent Mo(3)S6 octahedra, edges with two equivalent Co(2)S6 octahedra,  a faceface with one Mo(2)S6 octahedra, and  a faceface with one Mo(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Co site, Co(2) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(8) atom to form CoS6 octahedra that share corners with two equivalent Mo(1)S6 octahedra, corners with two equivalent Mo(3)S6 octahedra, corners with four equivalent Mo(2)S6 octahedra, corners with four equivalent Mo(4)S6 octahedra, edges with two equivalent Co(1)S6 octahedra,  a faceface with one Mo(1)S6 octahedra, and  a faceface with one Mo(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are eight inequivalent S sites. In the first S site, S(5) is bonded in a 5-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), one Co(1), and one Co(2) atom. In the second S site, S(6) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), one Co(1), and one Co(2) atom. In the third S site, S(7) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), and one Co(1) atom. In the fourth S site, S(8) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), and one Co(2) atom. In the fifth S site, S(1) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Co(2) atom. In the sixth S site, S(2) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), and one Co(1) atom. In the seventh S site, S(3) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Co(1), and one Co(2) atom. In the eighth S site, S(4) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), one Co(1), and one Co(2) 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   3.217
_cell_length_b   5.938
_cell_length_c   6.396
_cell_angle_alpha   114.091
_cell_angle_beta   104.566
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.230
_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  0.797  0.834  0.094  1.0
  Mo  Mo1  1  0.540  0.516  0.579  1.0
  Mo  Mo2  1  0.060  0.150  0.621  1.0
  S  S3  1  0.701  0.404  0.903  1.0
  S  S4  1  0.898  0.262  0.296  1.0
  S  S5  1  0.432  0.811  0.364  1.0
  S  S6  1  0.168  0.857  0.835  1.0
[/CIF]
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The crystal structure described by CoMo2S4 crystallizes in the monoclinic Cc space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(6), and one S(8) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(2)S6 octahedra, corners with four equivalent Co(1)S6 octahedra, edges with two equivalent Mo(2)S6 octahedra, edges with two equivalent Mo(3)S6 octahedra, edges with two equivalent Mo(4)S6 octahedra, and  a faceface with one Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Mo site, Mo(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(7) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(1)S6 octahedra, corners with four equivalent Co(2)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, edges with two equivalent Mo(3)S6 octahedra, edges with two equivalent Mo(4)S6 octahedra, and  a faceface with one Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third Mo site, Mo(3) is bonded to one S(1), one S(3), one S(5), one S(6), one S(7), and one S(8) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(2)S6 octahedra, corners with four equivalent Co(1)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, edges with two equivalent Mo(2)S6 octahedra, edges with two equivalent Mo(4)S6 octahedra, and  a faceface with one Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth Mo site, Mo(4) is bonded to one S(2), one S(4), one S(5), one S(6), one S(7), and one S(8) atom to form distorted MoS6 octahedra that share corners with two equivalent Co(1)S6 octahedra, corners with four equivalent Co(2)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, edges with two equivalent Mo(2)S6 octahedra, edges with two equivalent Mo(3)S6 octahedra, and  a faceface with one Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(2), one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form CoS6 octahedra that share corners with two equivalent Mo(2)S6 octahedra, corners with two equivalent Mo(4)S6 octahedra, corners with four equivalent Mo(1)S6 octahedra, corners with four equivalent Mo(3)S6 octahedra, edges with two equivalent Co(2)S6 octahedra,  a faceface with one Mo(2)S6 octahedra, and  a faceface with one Mo(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Co site, Co(2) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(8) atom to form CoS6 octahedra that share corners with two equivalent Mo(1)S6 octahedra, corners with two equivalent Mo(3)S6 octahedra, corners with four equivalent Mo(2)S6 octahedra, corners with four equivalent Mo(4)S6 octahedra, edges with two equivalent Co(1)S6 octahedra,  a faceface with one Mo(1)S6 octahedra, and  a faceface with one Mo(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are eight inequivalent S sites. In the first S site, S(5) is bonded in a 5-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), one Co(1), and one Co(2) atom. In the second S site, S(6) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), one Co(1), and one Co(2) atom. In the third S site, S(7) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), and one Co(1) atom. In the fourth S site, S(8) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), and one Co(2) atom. In the fifth S site, S(1) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Co(2) atom. In the sixth S site, S(2) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), and one Co(1) atom. In the seventh S site, S(3) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Co(1), and one Co(2) atom. In the eighth S site, S(4) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), one Co(1), and one Co(2) 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   3.217
_cell_length_b   5.938
_cell_length_c   6.396
_cell_angle_alpha   114.091
_cell_angle_beta   104.566
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.230
_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  0.797  0.834  0.094  1.0
  Mo  Mo1  1  0.540  0.516  0.579  1.0
  Mo  Mo2  1  0.060  0.150  0.621  1.0
  S  S3  1  0.701  0.404  0.903  1.0
  S  S4  1  0.898  0.262  0.296  1.0
  S  S5  1  0.432  0.811  0.364  1.0
  S  S6  1  0.168  0.857  0.835  1.0
[/CIF]
.