The compound described by Ta9(FeS3)2 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one S(3), and two equivalent S(1) atoms. In the second Ta site, Ta(2) is bonded to two equivalent Fe(1), one S(2), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing TaFe2S3 trigonal bipyramids. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ta(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(2) and two equivalent Ta(3) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta9(FeS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.383
_cell_length_b   10.383
_cell_length_c   6.570
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   613.461
_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  0.782  0.526  0.000  1.0
  Ta  Ta1  1  0.744  0.218  0.000  1.0
  Ta  Ta2  1  0.474  0.256  0.000  1.0
  Ta  Ta3  1  0.256  0.474  0.000  1.0
  Ta  Ta4  1  0.526  0.782  0.000  1.0
  Ta  Ta5  1  0.218  0.744  0.000  1.0
  Ta  Ta6  1  0.734  0.191  0.500  1.0
  Ta  Ta7  1  0.809  0.544  0.500  1.0
  Ta  Ta8  1  0.456  0.266  0.500  1.0
  Ta  Ta9  1  0.266  0.456  0.500  1.0
  Ta  Ta10  1  0.544  0.809  0.500  1.0
  Ta  Ta11  1  0.191  0.734  0.500  1.0
  Ta  Ta12  1  0.460  0.000  0.754  1.0
  Ta  Ta13  1  0.540  0.540  0.246  1.0
  Ta  Ta14  1  1.000  0.460  0.246  1.0
  Ta  Ta15  1  1.000  0.460  0.754  1.0
  Ta  Ta16  1  0.540  0.540  0.754  1.0
  Ta  Ta17  1  0.460  0.000  0.246  1.0
  Fe  Fe18  1  0.667  0.333  0.284  1.0
  Fe  Fe19  1  0.667  0.333  0.716  1.0
  Fe  Fe20  1  0.333  0.667  0.716  1.0
  Fe  Fe21  1  0.333  0.667  0.284  1.0
  S  S22  1  0.701  0.000  0.766  1.0
  S  S23  1  0.299  0.299  0.234  1.0
  S  S24  1  1.000  0.701  0.234  1.0
  S  S25  1  1.000  0.701  0.766  1.0
  S  S26  1  0.299  0.299  0.766  1.0
  S  S27  1  0.701  0.000  0.234  1.0
  S  S28  1  1.000  0.279  0.500  1.0
  S  S29  1  0.721  0.721  0.500  1.0
  S  S30  1  0.279  0.000  0.500  1.0
  S  S31  1  1.000  0.276  0.000  1.0
  S  S32  1  0.724  0.724  0.000  1.0
  S  S33  1  0.276  0.000  0.000  1.0
[/CIF]
.
The compound described by Ta9(FeS3)2 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one S(3), and two equivalent S(1) atoms. In the second Ta site, Ta(2) is bonded to two equivalent Fe(1), one S(2), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing TaFe2S3 trigonal bipyramids. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ta(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(2) and two equivalent Ta(3) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta9(FeS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.383
_cell_length_b   10.383
_cell_length_c   6.570
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   613.461
_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  0.782  0.526  0.000  1.0
  Ta  Ta1  1  0.744  0.218  0.000  1.0
  Ta  Ta2  1  0.474  0.256  0.000  1.0
  Ta  Ta3  1  0.256  0.474  0.000  1.0
  Ta  Ta4  1  0.526  0.782  0.000  1.0
  Ta  Ta5  1  0.218  0.744  0.000  1.0
  Ta  Ta6  1  0.734  0.191  0.500  1.0
  Ta  Ta7  1  0.809  0.544  0.500  1.0
  Ta  Ta8  1  0.456  0.266  0.500  1.0
  Ta  Ta9  1  0.266  0.456  0.500  1.0
  Ta  Ta10  1  0.544  0.809  0.500  1.0
  Ta  Ta11  1  0.191  0.734  0.500  1.0
  Ta  Ta12  1  0.460  0.000  0.754  1.0
  Ta  Ta13  1  0.540  0.540  0.246  1.0
  Ta  Ta14  1  1.000  0.460  0.246  1.0
  Ta  Ta15  1  1.000  0.460  0.754  1.0
  Ta  Ta16  1  0.540  0.540  0.754  1.0
  Ta  Ta17  1  0.460  0.000  0.246  1.0
  Fe  Fe18  1  0.667  0.333  0.284  1.0
  Fe  Fe19  1  0.667  0.333  0.716  1.0
  Fe  Fe20  1  0.333  0.667  0.716  1.0
  Fe  Fe21  1  0.333  0.667  0.284  1.0
  S  S22  1  0.701  0.000  0.766  1.0
  S  S23  1  0.299  0.299  0.234  1.0
  S  S24  1  1.000  0.701  0.234  1.0
  S  S25  1  1.000  0.701  0.766  1.0
  S  S26  1  0.299  0.299  0.766  1.0
  S  S27  1  0.701  0.000  0.234  1.0
  S  S28  1  1.000  0.279  0.500  1.0
  S  S29  1  0.721  0.721  0.500  1.0
  S  S30  1  0.279  0.000  0.500  1.0
  S  S31  1  1.000  0.276  0.000  1.0
  S  S32  1  0.724  0.724  0.000  1.0
  S  S33  1  0.276  0.000  0.000  1.0
[/CIF]
.