The structure described by Ti2VS4 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent V(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. 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 Ti(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and faces with two equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent S sites. In the first S site, S(2) is bonded to three equivalent Ti(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing STi3V2 trigonal bipyramids. In the second S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one V(1) atom. is represented by the CIF file [CIF]
data_Ti2VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.447
_cell_length_b   6.065
_cell_length_c   6.698
_cell_angle_alpha   115.768
_cell_angle_beta   104.911
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.867
_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
  Ti  Ti0  1  0.257  0.287  0.514  1.0
  Ti  Ti1  1  0.743  0.713  0.486  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.117  0.448  0.234  1.0
  S  S4  1  0.883  0.552  0.766  1.0
  S  S5  1  0.366  0.024  0.732  1.0
  S  S6  1  0.634  0.976  0.268  1.0
[/CIF]
.
The structure described by Ti2VS4 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent V(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. 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 Ti(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and faces with two equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent S sites. In the first S site, S(2) is bonded to three equivalent Ti(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing STi3V2 trigonal bipyramids. In the second S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one V(1) atom. is represented by the CIF file [CIF]
data_Ti2VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.447
_cell_length_b   6.065
_cell_length_c   6.698
_cell_angle_alpha   115.768
_cell_angle_beta   104.911
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.867
_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
  Ti  Ti0  1  0.257  0.287  0.514  1.0
  Ti  Ti1  1  0.743  0.713  0.486  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.117  0.448  0.234  1.0
  S  S4  1  0.883  0.552  0.766  1.0
  S  S5  1  0.366  0.024  0.732  1.0
  S  S6  1  0.634  0.976  0.268  1.0
[/CIF]
.