The material structure described by NaTiS2 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded in a linear geometry to two equivalent S(1) atoms. Ti(1) is bonded to six equivalent S(1) atoms to form edge-sharing TiS6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Na(1) and three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.518
_cell_length_b   3.518
_cell_length_c   16.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.136
_symmetry_Int_Tables_number   1
_cell_volume   174.732
_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
  Na  Na0  1  0.667  0.333  0.250  1.0
  Na  Na1  1  0.333  0.667  0.750  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.667  0.333  0.087  1.0
  S  S5  1  0.333  0.667  0.913  1.0
  S  S6  1  0.333  0.667  0.587  1.0
  S  S7  1  0.667  0.333  0.413  1.0
[/CIF]
.
The material structure described by NaTiS2 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded in a linear geometry to two equivalent S(1) atoms. Ti(1) is bonded to six equivalent S(1) atoms to form edge-sharing TiS6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Na(1) and three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.518
_cell_length_b   3.518
_cell_length_c   16.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.136
_symmetry_Int_Tables_number   1
_cell_volume   174.732
_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
  Na  Na0  1  0.667  0.333  0.250  1.0
  Na  Na1  1  0.333  0.667  0.750  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.667  0.333  0.087  1.0
  S  S5  1  0.333  0.667  0.913  1.0
  S  S6  1  0.333  0.667  0.587  1.0
  S  S7  1  0.667  0.333  0.413  1.0
[/CIF]
.