The material described by TiS2 is Hydrophilite-like structured and crystallizes in the cubic Pa-3 space group. Ti(1) is bonded to six equivalent S(1) atoms to form corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 61°. S(1) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.007
_cell_length_c   6.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.708
_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
  Ti  Ti0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.142  0.858  0.358  1.0
  S  S5  1  0.858  0.358  0.142  1.0
  S  S6  1  0.358  0.142  0.858  1.0
  S  S7  1  0.642  0.642  0.642  1.0
  S  S8  1  0.858  0.142  0.642  1.0
  S  S9  1  0.142  0.642  0.858  1.0
  S  S10  1  0.642  0.858  0.142  1.0
  S  S11  1  0.358  0.358  0.358  1.0
[/CIF]
.
The material described by TiS2 is Hydrophilite-like structured and crystallizes in the cubic Pa-3 space group. Ti(1) is bonded to six equivalent S(1) atoms to form corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 61°. S(1) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.007
_cell_length_c   6.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.708
_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
  Ti  Ti0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.142  0.858  0.358  1.0
  S  S5  1  0.858  0.358  0.142  1.0
  S  S6  1  0.358  0.142  0.858  1.0
  S  S7  1  0.642  0.642  0.642  1.0
  S  S8  1  0.858  0.142  0.642  1.0
  S  S9  1  0.142  0.642  0.858  1.0
  S  S10  1  0.642  0.858  0.142  1.0
  S  S11  1  0.358  0.358  0.358  1.0
[/CIF]
.