The material described by Cs2TaS6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 12-coordinate geometry to twelve equivalent S(1) atoms. Ta(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. S(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Ta(1) atom. is represented by the CIF card [CIF]
data_Cs2TaS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.040
_cell_length_b   8.040
_cell_length_c   4.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   270.241
_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
  Cs  Cs0  1  0.333  0.667  0.725  1.0
  Cs  Cs1  1  0.667  0.333  0.275  1.0
  Ta  Ta2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.140  0.860  0.204  1.0
  S  S4  1  0.140  0.279  0.204  1.0
  S  S5  1  0.279  0.140  0.796  1.0
  S  S6  1  0.721  0.860  0.204  1.0
  S  S7  1  0.860  0.721  0.796  1.0
  S  S8  1  0.860  0.140  0.796  1.0
[/CIF]
.
The material described by Cs2TaS6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 12-coordinate geometry to twelve equivalent S(1) atoms. Ta(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. S(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Ta(1) atom. is represented by the CIF card [CIF]
data_Cs2TaS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.040
_cell_length_b   8.040
_cell_length_c   4.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   270.241
_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
  Cs  Cs0  1  0.333  0.667  0.725  1.0
  Cs  Cs1  1  0.667  0.333  0.275  1.0
  Ta  Ta2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.140  0.860  0.204  1.0
  S  S4  1  0.140  0.279  0.204  1.0
  S  S5  1  0.279  0.140  0.796  1.0
  S  S6  1  0.721  0.860  0.204  1.0
  S  S7  1  0.860  0.721  0.796  1.0
  S  S8  1  0.860  0.140  0.796  1.0
[/CIF]
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