The compound described by Tl4S3 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form corner-sharing TlS4 tetrahedra. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Tl(1), two equivalent Tl(2), and two equivalent Tl(3) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Tl(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Tl(1), one Tl(2), two equivalent Tl(3), and two equivalent Tl(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.943
_cell_length_b   8.036
_cell_length_c   13.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.425
_symmetry_Int_Tables_number   1
_cell_volume   812.857
_cell_formula_units_Z   4
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
  Tl  Tl0  1  0.321  0.458  0.770  1.0
  Tl  Tl1  1  0.679  0.042  0.270  1.0
  Tl  Tl2  1  0.679  0.542  0.230  1.0
  Tl  Tl3  1  0.321  0.958  0.730  1.0
  Tl  Tl4  1  0.848  0.582  0.806  1.0
  Tl  Tl5  1  0.152  0.918  0.306  1.0
  Tl  Tl6  1  0.152  0.418  0.194  1.0
  Tl  Tl7  1  0.848  0.082  0.694  1.0
  Tl  Tl8  1  0.895  0.715  0.550  1.0
  Tl  Tl9  1  0.105  0.785  0.050  1.0
  Tl  Tl10  1  0.105  0.285  0.450  1.0
  Tl  Tl11  1  0.895  0.215  0.950  1.0
  Tl  Tl12  1  0.548  0.279  0.502  1.0
  Tl  Tl13  1  0.452  0.221  0.002  1.0
  Tl  Tl14  1  0.452  0.721  0.498  1.0
  Tl  Tl15  1  0.548  0.779  0.998  1.0
  S  S16  1  0.071  0.931  0.851  1.0
  S  S17  1  0.929  0.569  0.351  1.0
  S  S18  1  0.929  0.069  0.149  1.0
  S  S19  1  0.071  0.431  0.649  1.0
  S  S20  1  0.529  0.756  0.744  1.0
  S  S21  1  0.471  0.744  0.244  1.0
  S  S22  1  0.471  0.244  0.256  1.0
  S  S23  1  0.529  0.256  0.756  1.0
  S  S24  1  0.236  0.463  0.959  1.0
  S  S25  1  0.764  0.037  0.459  1.0
  S  S26  1  0.764  0.537  0.041  1.0
  S  S27  1  0.236  0.963  0.541  1.0
[/CIF]
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The compound described by Tl4S3 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form corner-sharing TlS4 tetrahedra. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Tl(1), two equivalent Tl(2), and two equivalent Tl(3) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Tl(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Tl(1), one Tl(2), two equivalent Tl(3), and two equivalent Tl(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.943
_cell_length_b   8.036
_cell_length_c   13.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.425
_symmetry_Int_Tables_number   1
_cell_volume   812.857
_cell_formula_units_Z   4
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
  Tl  Tl0  1  0.321  0.458  0.770  1.0
  Tl  Tl1  1  0.679  0.042  0.270  1.0
  Tl  Tl2  1  0.679  0.542  0.230  1.0
  Tl  Tl3  1  0.321  0.958  0.730  1.0
  Tl  Tl4  1  0.848  0.582  0.806  1.0
  Tl  Tl5  1  0.152  0.918  0.306  1.0
  Tl  Tl6  1  0.152  0.418  0.194  1.0
  Tl  Tl7  1  0.848  0.082  0.694  1.0
  Tl  Tl8  1  0.895  0.715  0.550  1.0
  Tl  Tl9  1  0.105  0.785  0.050  1.0
  Tl  Tl10  1  0.105  0.285  0.450  1.0
  Tl  Tl11  1  0.895  0.215  0.950  1.0
  Tl  Tl12  1  0.548  0.279  0.502  1.0
  Tl  Tl13  1  0.452  0.221  0.002  1.0
  Tl  Tl14  1  0.452  0.721  0.498  1.0
  Tl  Tl15  1  0.548  0.779  0.998  1.0
  S  S16  1  0.071  0.931  0.851  1.0
  S  S17  1  0.929  0.569  0.351  1.0
  S  S18  1  0.929  0.069  0.149  1.0
  S  S19  1  0.071  0.431  0.649  1.0
  S  S20  1  0.529  0.756  0.744  1.0
  S  S21  1  0.471  0.744  0.244  1.0
  S  S22  1  0.471  0.244  0.256  1.0
  S  S23  1  0.529  0.256  0.756  1.0
  S  S24  1  0.236  0.463  0.959  1.0
  S  S25  1  0.764  0.037  0.459  1.0
  S  S26  1  0.764  0.537  0.041  1.0
  S  S27  1  0.236  0.963  0.541  1.0
[/CIF]
.