The structure described by Ta4S9Br8 is Indium-like structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of two Ta4S9Br8 clusters. Ta(1) is bonded to one S(3), two equivalent S(1), two equivalent S(2), one Br(1), and one Br(2) atom to form a mixture of corner and face-sharing TaS5Br2 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one S(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one S(1) atom. In the third S site, S(3) is bonded in a distorted square co-planar geometry to four equivalent Ta(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF file [CIF]
data_Ta4S9Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.934
_cell_length_b   9.934
_cell_length_c   9.934
_cell_angle_alpha   97.455
_cell_angle_beta   97.454
_cell_angle_gamma   137.777
_symmetry_Int_Tables_number   1
_cell_volume   614.607
_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
  Ta  Ta0  1  0.245  0.066  0.179  1.0
  Ta  Ta1  1  0.066  0.887  0.821  1.0
  Ta  Ta2  1  0.887  0.066  0.821  1.0
  Ta  Ta3  1  0.066  0.245  0.179  1.0
  S  S4  1  0.878  0.878  0.616  1.0
  S  S5  1  0.262  0.878  0.000  1.0
  S  S6  1  0.262  0.262  0.384  1.0
  S  S7  1  0.696  0.961  0.000  1.0
  S  S8  1  0.172  0.172  1.000  1.0
  S  S9  1  0.696  0.696  0.735  1.0
  S  S10  1  0.961  0.961  0.265  1.0
  S  S11  1  0.878  0.262  1.000  1.0
  S  S12  1  0.961  0.696  0.000  1.0
  Br  Br13  1  0.175  0.403  0.772  1.0
  Br  Br14  1  0.631  0.403  0.228  1.0
  Br  Br15  1  0.281  0.928  0.353  1.0
  Br  Br16  1  0.403  0.631  0.228  1.0
  Br  Br17  1  0.928  0.575  0.647  1.0
  Br  Br18  1  0.575  0.928  0.647  1.0
  Br  Br19  1  0.403  0.175  0.772  1.0
  Br  Br20  1  0.928  0.281  0.353  1.0
[/CIF]
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The structure described by Ta4S9Br8 is Indium-like structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of two Ta4S9Br8 clusters. Ta(1) is bonded to one S(3), two equivalent S(1), two equivalent S(2), one Br(1), and one Br(2) atom to form a mixture of corner and face-sharing TaS5Br2 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one S(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one S(1) atom. In the third S site, S(3) is bonded in a distorted square co-planar geometry to four equivalent Ta(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF file [CIF]
data_Ta4S9Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.934
_cell_length_b   9.934
_cell_length_c   9.934
_cell_angle_alpha   97.455
_cell_angle_beta   97.454
_cell_angle_gamma   137.777
_symmetry_Int_Tables_number   1
_cell_volume   614.607
_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
  Ta  Ta0  1  0.245  0.066  0.179  1.0
  Ta  Ta1  1  0.066  0.887  0.821  1.0
  Ta  Ta2  1  0.887  0.066  0.821  1.0
  Ta  Ta3  1  0.066  0.245  0.179  1.0
  S  S4  1  0.878  0.878  0.616  1.0
  S  S5  1  0.262  0.878  0.000  1.0
  S  S6  1  0.262  0.262  0.384  1.0
  S  S7  1  0.696  0.961  0.000  1.0
  S  S8  1  0.172  0.172  1.000  1.0
  S  S9  1  0.696  0.696  0.735  1.0
  S  S10  1  0.961  0.961  0.265  1.0
  S  S11  1  0.878  0.262  1.000  1.0
  S  S12  1  0.961  0.696  0.000  1.0
  Br  Br13  1  0.175  0.403  0.772  1.0
  Br  Br14  1  0.631  0.403  0.228  1.0
  Br  Br15  1  0.281  0.928  0.353  1.0
  Br  Br16  1  0.403  0.631  0.228  1.0
  Br  Br17  1  0.928  0.575  0.647  1.0
  Br  Br18  1  0.575  0.928  0.647  1.0
  Br  Br19  1  0.403  0.175  0.772  1.0
  Br  Br20  1  0.928  0.281  0.353  1.0
[/CIF]
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