The material described by Tl3BS3 is Indium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two Tl3BS3 clusters. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to two equivalent S(2) atoms. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one S(1) and one S(2) atom. B(1) is bonded in a trigonal planar geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Tl(2) and one B(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one B(1) atom. is represented by the CIF card [CIF]
data_Tl3BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   6.718
_cell_length_c   9.824
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.873
_symmetry_Int_Tables_number   1
_cell_volume   363.974
_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
  Tl  Tl0  1  0.172  0.018  0.750  1.0
  Tl  Tl1  1  0.828  0.982  0.250  1.0
  Tl  Tl2  1  0.277  0.673  0.449  1.0
  Tl  Tl3  1  0.723  0.327  0.949  1.0
  Tl  Tl4  1  0.723  0.327  0.551  1.0
  Tl  Tl5  1  0.277  0.673  0.051  1.0
  B  B6  1  0.613  0.740  0.750  1.0
  B  B7  1  0.387  0.260  0.250  1.0
  S  S8  1  0.328  0.571  0.750  1.0
  S  S9  1  0.672  0.429  0.250  1.0
  S  S10  1  0.753  0.824  0.911  1.0
  S  S11  1  0.247  0.176  0.411  1.0
  S  S12  1  0.247  0.176  0.089  1.0
  S  S13  1  0.753  0.824  0.589  1.0
[/CIF]
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The material described by Tl3BS3 is Indium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two Tl3BS3 clusters. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to two equivalent S(2) atoms. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one S(1) and one S(2) atom. B(1) is bonded in a trigonal planar geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Tl(2) and one B(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one B(1) atom. is represented by the CIF card [CIF]
data_Tl3BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   6.718
_cell_length_c   9.824
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.873
_symmetry_Int_Tables_number   1
_cell_volume   363.974
_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
  Tl  Tl0  1  0.172  0.018  0.750  1.0
  Tl  Tl1  1  0.828  0.982  0.250  1.0
  Tl  Tl2  1  0.277  0.673  0.449  1.0
  Tl  Tl3  1  0.723  0.327  0.949  1.0
  Tl  Tl4  1  0.723  0.327  0.551  1.0
  Tl  Tl5  1  0.277  0.673  0.051  1.0
  B  B6  1  0.613  0.740  0.750  1.0
  B  B7  1  0.387  0.260  0.250  1.0
  S  S8  1  0.328  0.571  0.750  1.0
  S  S9  1  0.672  0.429  0.250  1.0
  S  S10  1  0.753  0.824  0.911  1.0
  S  S11  1  0.247  0.176  0.411  1.0
  S  S12  1  0.247  0.176  0.089  1.0
  S  S13  1  0.753  0.824  0.589  1.0
[/CIF]
.