The material described by SnTaS2 crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing TaS6 pentagonal pyramids. Sn(1) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_TaSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.329
_cell_length_b   3.329
_cell_length_c   17.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.444
_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
  Ta  Ta0  1  0.667  0.333  0.750  1.0
  Ta  Ta1  1  0.333  0.667  0.250  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.000  0.000  0.339  1.0
  S  S5  1  0.000  0.000  0.839  1.0
  S  S6  1  0.000  0.000  0.161  1.0
  S  S7  1  0.000  0.000  0.661  1.0
[/CIF]
.
The material described by SnTaS2 crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing TaS6 pentagonal pyramids. Sn(1) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_TaSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.329
_cell_length_b   3.329
_cell_length_c   17.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.444
_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
  Ta  Ta0  1  0.667  0.333  0.750  1.0
  Ta  Ta1  1  0.333  0.667  0.250  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.000  0.000  0.339  1.0
  S  S5  1  0.000  0.000  0.839  1.0
  S  S6  1  0.000  0.000  0.161  1.0
  S  S7  1  0.000  0.000  0.661  1.0
[/CIF]
.