The material structure described by Ti3S2 is Ilmenite-derived structured and crystallizes in the trigonal R32 space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. S(1) is bonded to six equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing STi6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Ti3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.505
_cell_length_b   4.505
_cell_length_c   4.505
_cell_angle_alpha   74.058
_cell_angle_beta   74.058
_cell_angle_gamma   74.058
_symmetry_Int_Tables_number   1
_cell_volume   82.557
_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  0.000  0.336  0.664  1.0
  Ti  Ti1  1  0.336  0.664  0.000  1.0
  Ti  Ti2  1  0.664  0.000  0.336  1.0
  S  S3  1  0.832  0.832  0.832  1.0
  S  S4  1  0.168  0.168  0.168  1.0
[/CIF]
.
The material structure described by Ti3S2 is Ilmenite-derived structured and crystallizes in the trigonal R32 space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. S(1) is bonded to six equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing STi6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Ti3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.505
_cell_length_b   4.505
_cell_length_c   4.505
_cell_angle_alpha   74.058
_cell_angle_beta   74.058
_cell_angle_gamma   74.058
_symmetry_Int_Tables_number   1
_cell_volume   82.557
_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  0.000  0.336  0.664  1.0
  Ti  Ti1  1  0.336  0.664  0.000  1.0
  Ti  Ti2  1  0.664  0.000  0.336  1.0
  S  S3  1  0.832  0.832  0.832  1.0
  S  S4  1  0.168  0.168  0.168  1.0
[/CIF]
.