The material described by VMo2S4 crystallizes in the monoclinic C2/m space group. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. 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 V(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one V(1) and three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent V(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.227
_cell_length_b   6.042
_cell_length_c   6.601
_cell_angle_alpha   113.540
_cell_angle_beta   104.147
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.732
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.741  0.685  0.483  1.0
  Mo  Mo2  1  0.259  0.315  0.517  1.0
  S  S3  1  0.105  0.440  0.210  1.0
  S  S4  1  0.364  0.028  0.727  1.0
  S  S5  1  0.636  0.972  0.273  1.0
  S  S6  1  0.895  0.560  0.790  1.0
[/CIF]
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The material described by VMo2S4 crystallizes in the monoclinic C2/m space group. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. 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 V(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one V(1) and three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent V(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.227
_cell_length_b   6.042
_cell_length_c   6.601
_cell_angle_alpha   113.540
_cell_angle_beta   104.147
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.732
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.741  0.685  0.483  1.0
  Mo  Mo2  1  0.259  0.315  0.517  1.0
  S  S3  1  0.105  0.440  0.210  1.0
  S  S4  1  0.364  0.028  0.727  1.0
  S  S5  1  0.636  0.972  0.273  1.0
  S  S6  1  0.895  0.560  0.790  1.0
[/CIF]
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