The compound described by VMo2S4 crystallizes in the monoclinic C2/c space group. V(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mo(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and  a faceface with one Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent V(1)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(3) is bonded in a 5-coordinate geometry to two equivalent V(1), one Mo(1), and two equivalent Mo(2) atoms. In the second S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Mo(1), and two equivalent Mo(2) atoms. In the third S site, S(1) is bonded in a 4-coordinate geometry to one V(1), one Mo(2), and two equivalent Mo(1) atoms. In the fourth S site, S(2) is bonded in a 5-coordinate geometry to two equivalent V(1), one Mo(2), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_V(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   12.816
_cell_angle_alpha   68.395
_cell_angle_beta   68.395
_cell_angle_gamma   56.445
_symmetry_Int_Tables_number   1
_cell_volume   457.546
_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
  V  V0  1  0.370  0.122  0.251  1.0
  V  V1  1  0.122  0.370  0.751  1.0
  V  V2  1  0.630  0.878  0.749  1.0
  V  V3  1  0.878  0.630  0.249  1.0
  Mo  Mo4  1  0.703  0.492  0.507  1.0
  Mo  Mo5  1  0.492  0.703  0.007  1.0
  Mo  Mo6  1  0.297  0.508  0.493  1.0
  Mo  Mo7  1  0.508  0.297  0.993  1.0
  Mo  Mo8  1  0.769  0.055  0.491  1.0
  Mo  Mo9  1  0.055  0.769  0.991  1.0
  Mo  Mo10  1  0.231  0.945  0.509  1.0
  Mo  Mo11  1  0.945  0.231  0.009  1.0
  S  S12  1  0.659  0.417  0.351  1.0
  S  S13  1  0.417  0.659  0.851  1.0
  S  S14  1  0.341  0.583  0.649  1.0
  S  S15  1  0.583  0.341  0.149  1.0
  S  S16  1  0.864  0.624  0.609  1.0
  S  S17  1  0.624  0.864  0.109  1.0
  S  S18  1  0.136  0.376  0.391  1.0
  S  S19  1  0.376  0.136  0.891  1.0
  S  S20  1  0.365  0.105  0.614  1.0
  S  S21  1  0.105  0.365  0.114  1.0
  S  S22  1  0.635  0.895  0.386  1.0
  S  S23  1  0.895  0.635  0.886  1.0
  S  S24  1  0.150  0.896  0.360  1.0
  S  S25  1  0.896  0.150  0.860  1.0
  S  S26  1  0.850  0.104  0.640  1.0
  S  S27  1  0.104  0.850  0.140  1.0
[/CIF]
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The compound described by VMo2S4 crystallizes in the monoclinic C2/c space group. V(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mo(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and  a faceface with one Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent V(1)S6 octahedra, edges with two equivalent Mo(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(3) is bonded in a 5-coordinate geometry to two equivalent V(1), one Mo(1), and two equivalent Mo(2) atoms. In the second S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Mo(1), and two equivalent Mo(2) atoms. In the third S site, S(1) is bonded in a 4-coordinate geometry to one V(1), one Mo(2), and two equivalent Mo(1) atoms. In the fourth S site, S(2) is bonded in a 5-coordinate geometry to two equivalent V(1), one Mo(2), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_V(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   12.816
_cell_angle_alpha   68.395
_cell_angle_beta   68.395
_cell_angle_gamma   56.445
_symmetry_Int_Tables_number   1
_cell_volume   457.546
_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
  V  V0  1  0.370  0.122  0.251  1.0
  V  V1  1  0.122  0.370  0.751  1.0
  V  V2  1  0.630  0.878  0.749  1.0
  V  V3  1  0.878  0.630  0.249  1.0
  Mo  Mo4  1  0.703  0.492  0.507  1.0
  Mo  Mo5  1  0.492  0.703  0.007  1.0
  Mo  Mo6  1  0.297  0.508  0.493  1.0
  Mo  Mo7  1  0.508  0.297  0.993  1.0
  Mo  Mo8  1  0.769  0.055  0.491  1.0
  Mo  Mo9  1  0.055  0.769  0.991  1.0
  Mo  Mo10  1  0.231  0.945  0.509  1.0
  Mo  Mo11  1  0.945  0.231  0.009  1.0
  S  S12  1  0.659  0.417  0.351  1.0
  S  S13  1  0.417  0.659  0.851  1.0
  S  S14  1  0.341  0.583  0.649  1.0
  S  S15  1  0.583  0.341  0.149  1.0
  S  S16  1  0.864  0.624  0.609  1.0
  S  S17  1  0.624  0.864  0.109  1.0
  S  S18  1  0.136  0.376  0.391  1.0
  S  S19  1  0.376  0.136  0.891  1.0
  S  S20  1  0.365  0.105  0.614  1.0
  S  S21  1  0.105  0.365  0.114  1.0
  S  S22  1  0.635  0.895  0.386  1.0
  S  S23  1  0.895  0.635  0.886  1.0
  S  S24  1  0.150  0.896  0.360  1.0
  S  S25  1  0.896  0.150  0.860  1.0
  S  S26  1  0.850  0.104  0.640  1.0
  S  S27  1  0.104  0.850  0.140  1.0
[/CIF]
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