The material structure described by KTiS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing TiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1) and three equivalent Ti(1) atoms to form edge-sharing SK3Ti3 octahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_KTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   3.650
_cell_length_c   7.667
_cell_angle_alpha   76.229
_cell_angle_beta   76.229
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.056
_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
  K  K0  1  0.182  0.182  0.455  1.0
  Ti  Ti1  1  0.013  0.013  0.960  1.0
  S  S2  1  0.618  0.618  0.147  1.0
  S  S3  1  0.409  0.409  0.772  1.0
[/CIF]
.
The material structure described by KTiS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing TiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1) and three equivalent Ti(1) atoms to form edge-sharing SK3Ti3 octahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_KTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   3.650
_cell_length_c   7.667
_cell_angle_alpha   76.229
_cell_angle_beta   76.229
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.056
_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
  K  K0  1  0.182  0.182  0.455  1.0
  Ti  Ti1  1  0.013  0.013  0.960  1.0
  S  S2  1  0.618  0.618  0.147  1.0
  S  S3  1  0.409  0.409  0.772  1.0
[/CIF]
.