The structure described by TiS2 crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 11-coordinate geometry to five equivalent S(2) and six equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a body-centered cubic geometry to six equivalent Ti(1) and two equivalent S(1) atoms. In the second S site, S(2) is bonded to five equivalent Ti(1) atoms to form a mixture of corner and edge-sharing STi5 trigonal bipyramids. is represented by the CIF file [CIF]
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.620
_cell_length_b   4.620
_cell_length_c   4.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.043
_cell_formula_units_Z   2
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  0.333  0.667  0.250  1.0
  Ti  Ti1  1  0.667  0.333  0.750  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.333  0.667  0.750  1.0
  S  S5  1  0.667  0.333  0.250  1.0
[/CIF]
.
The structure described by TiS2 crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 11-coordinate geometry to five equivalent S(2) and six equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a body-centered cubic geometry to six equivalent Ti(1) and two equivalent S(1) atoms. In the second S site, S(2) is bonded to five equivalent Ti(1) atoms to form a mixture of corner and edge-sharing STi5 trigonal bipyramids. is represented by the CIF file [CIF]
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.620
_cell_length_b   4.620
_cell_length_c   4.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.043
_cell_formula_units_Z   2
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  0.333  0.667  0.250  1.0
  Ti  Ti1  1  0.667  0.333  0.750  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.333  0.667  0.750  1.0
  S  S5  1  0.667  0.333  0.250  1.0
[/CIF]
.