The crystal structure described by Ta3SnS6 is Ilmenite-like structured and crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing TaS6 pentagonal pyramids. In the second Ta site, Ta(2) is bonded to six equivalent S(1) atoms to form distorted edge-sharing TaS6 pentagonal pyramids. Sn(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(2), two equivalent Ta(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3SnS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.796
_cell_length_c   14.561
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   423.604
_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  0.333  0.667  0.500  1.0
  Ta  Ta1  1  0.667  0.333  0.000  1.0
  Ta  Ta2  1  0.667  0.333  0.500  1.0
  Ta  Ta3  1  0.333  0.667  0.000  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.000  0.000  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.750  1.0
  Sn  Sn7  1  0.000  0.000  0.250  1.0
  S  S8  1  0.336  0.000  0.393  1.0
  S  S9  1  0.000  0.336  0.393  1.0
  S  S10  1  0.664  0.664  0.393  1.0
  S  S11  1  0.336  0.336  0.893  1.0
  S  S12  1  0.664  0.664  0.607  1.0
  S  S13  1  0.664  0.000  0.893  1.0
  S  S14  1  0.000  0.664  0.893  1.0
  S  S15  1  0.000  0.664  0.107  1.0
  S  S16  1  0.336  0.336  0.107  1.0
  S  S17  1  0.000  0.336  0.607  1.0
  S  S18  1  0.336  0.000  0.607  1.0
  S  S19  1  0.664  0.000  0.107  1.0
[/CIF]
.
The crystal structure described by Ta3SnS6 is Ilmenite-like structured and crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing TaS6 pentagonal pyramids. In the second Ta site, Ta(2) is bonded to six equivalent S(1) atoms to form distorted edge-sharing TaS6 pentagonal pyramids. Sn(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(2), two equivalent Ta(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3SnS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.796
_cell_length_c   14.561
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   423.604
_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  0.333  0.667  0.500  1.0
  Ta  Ta1  1  0.667  0.333  0.000  1.0
  Ta  Ta2  1  0.667  0.333  0.500  1.0
  Ta  Ta3  1  0.333  0.667  0.000  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.000  0.000  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.750  1.0
  Sn  Sn7  1  0.000  0.000  0.250  1.0
  S  S8  1  0.336  0.000  0.393  1.0
  S  S9  1  0.000  0.336  0.393  1.0
  S  S10  1  0.664  0.664  0.393  1.0
  S  S11  1  0.336  0.336  0.893  1.0
  S  S12  1  0.664  0.664  0.607  1.0
  S  S13  1  0.664  0.000  0.893  1.0
  S  S14  1  0.000  0.664  0.893  1.0
  S  S15  1  0.000  0.664  0.107  1.0
  S  S16  1  0.336  0.336  0.107  1.0
  S  S17  1  0.000  0.336  0.607  1.0
  S  S18  1  0.336  0.000  0.607  1.0
  S  S19  1  0.664  0.000  0.107  1.0
[/CIF]
.