The material structure described by TlTl2B3S10 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7440-28-0 atoms and two Tl2B3S10 clusters. In each Tl2B3S10 cluster, there are two inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a 2-coordinate geometry to one S(5) and one S(7) atom. In the second Tl site, Tl(3) is bonded in a single-bond geometry to one S(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one S(2), one S(6), one S(7), and one S(8) atom to form corner-sharing BS4 tetrahedra. In the second B site, B(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing BS4 tetrahedra. In the third B site, B(3) is bonded to one S(1), one S(10), one S(3), and one S(9) atom to form corner-sharing BS4 tetrahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one B(2) and one B(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one B(1) and one B(2) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Tl(3) and one B(3) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one B(2) atom. In the fifth S site, S(5) is bonded in a distorted single-bond geometry to one Tl(2) and one B(2) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one B(1) atom. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one Tl(2) and one B(1) atom. In the eighth S site, S(8) is bonded in a distorted single-bond geometry to one B(1) atom. In the ninth S site, S(9) is bonded in a distorted single-bond geometry to one B(3) atom. In the tenth S site, S(10) is bonded in a distorted single-bond geometry to one B(3) atom. is represented by the CIF card [CIF]
data_Tl3B3S10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   7.830
_cell_length_c   13.838
_cell_angle_alpha   103.617
_cell_angle_beta   93.757
_cell_angle_gamma   95.078
_symmetry_Int_Tables_number   1
_cell_volume   721.434
_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  0.016  0.879  0.794  1.0
  Tl  Tl1  1  0.984  0.121  0.206  1.0
  Tl  Tl2  1  0.265  0.449  0.845  1.0
  Tl  Tl3  1  0.735  0.551  0.155  1.0
  Tl  Tl4  1  0.673  0.824  0.519  1.0
  Tl  Tl5  1  0.327  0.176  0.481  1.0
  B  B6  1  0.635  0.085  0.912  1.0
  B  B7  1  0.365  0.915  0.088  1.0
  B  B8  1  0.740  0.277  0.760  1.0
  B  B9  1  0.260  0.723  0.240  1.0
  B  B10  1  0.898  0.382  0.586  1.0
  B  B11  1  0.102  0.618  0.414  1.0
  S  S12  1  0.074  0.791  0.338  1.0
  S  S13  1  0.926  0.209  0.662  1.0
  S  S14  1  0.166  0.748  0.112  1.0
  S  S15  1  0.834  0.252  0.888  1.0
  S  S16  1  0.329  0.500  0.382  1.0
  S  S17  1  0.671  0.500  0.618  1.0
  S  S18  1  0.297  0.480  0.230  1.0
  S  S19  1  0.703  0.520  0.770  1.0
  S  S20  1  0.514  0.856  0.281  1.0
  S  S21  1  0.486  0.144  0.719  1.0
  S  S22  1  0.478  0.062  0.214  1.0
  S  S23  1  0.522  0.938  0.786  1.0
  S  S24  1  0.539  0.770  0.014  1.0
  S  S25  1  0.461  0.230  0.986  1.0
  S  S26  1  0.237  0.057  0.014  1.0
  S  S27  1  0.763  0.943  0.986  1.0
  S  S28  1  0.141  0.735  0.553  1.0
  S  S29  1  0.859  0.265  0.447  1.0
  S  S30  1  0.143  0.525  0.622  1.0
  S  S31  1  0.857  0.475  0.378  1.0
[/CIF]
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The material structure described by TlTl2B3S10 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7440-28-0 atoms and two Tl2B3S10 clusters. In each Tl2B3S10 cluster, there are two inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a 2-coordinate geometry to one S(5) and one S(7) atom. In the second Tl site, Tl(3) is bonded in a single-bond geometry to one S(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one S(2), one S(6), one S(7), and one S(8) atom to form corner-sharing BS4 tetrahedra. In the second B site, B(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing BS4 tetrahedra. In the third B site, B(3) is bonded to one S(1), one S(10), one S(3), and one S(9) atom to form corner-sharing BS4 tetrahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one B(2) and one B(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one B(1) and one B(2) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Tl(3) and one B(3) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one B(2) atom. In the fifth S site, S(5) is bonded in a distorted single-bond geometry to one Tl(2) and one B(2) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one B(1) atom. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one Tl(2) and one B(1) atom. In the eighth S site, S(8) is bonded in a distorted single-bond geometry to one B(1) atom. In the ninth S site, S(9) is bonded in a distorted single-bond geometry to one B(3) atom. In the tenth S site, S(10) is bonded in a distorted single-bond geometry to one B(3) atom. is represented by the CIF card [CIF]
data_Tl3B3S10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   7.830
_cell_length_c   13.838
_cell_angle_alpha   103.617
_cell_angle_beta   93.757
_cell_angle_gamma   95.078
_symmetry_Int_Tables_number   1
_cell_volume   721.434
_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  0.016  0.879  0.794  1.0
  Tl  Tl1  1  0.984  0.121  0.206  1.0
  Tl  Tl2  1  0.265  0.449  0.845  1.0
  Tl  Tl3  1  0.735  0.551  0.155  1.0
  Tl  Tl4  1  0.673  0.824  0.519  1.0
  Tl  Tl5  1  0.327  0.176  0.481  1.0
  B  B6  1  0.635  0.085  0.912  1.0
  B  B7  1  0.365  0.915  0.088  1.0
  B  B8  1  0.740  0.277  0.760  1.0
  B  B9  1  0.260  0.723  0.240  1.0
  B  B10  1  0.898  0.382  0.586  1.0
  B  B11  1  0.102  0.618  0.414  1.0
  S  S12  1  0.074  0.791  0.338  1.0
  S  S13  1  0.926  0.209  0.662  1.0
  S  S14  1  0.166  0.748  0.112  1.0
  S  S15  1  0.834  0.252  0.888  1.0
  S  S16  1  0.329  0.500  0.382  1.0
  S  S17  1  0.671  0.500  0.618  1.0
  S  S18  1  0.297  0.480  0.230  1.0
  S  S19  1  0.703  0.520  0.770  1.0
  S  S20  1  0.514  0.856  0.281  1.0
  S  S21  1  0.486  0.144  0.719  1.0
  S  S22  1  0.478  0.062  0.214  1.0
  S  S23  1  0.522  0.938  0.786  1.0
  S  S24  1  0.539  0.770  0.014  1.0
  S  S25  1  0.461  0.230  0.986  1.0
  S  S26  1  0.237  0.057  0.014  1.0
  S  S27  1  0.763  0.943  0.986  1.0
  S  S28  1  0.141  0.735  0.553  1.0
  S  S29  1  0.859  0.265  0.447  1.0
  S  S30  1  0.143  0.525  0.622  1.0
  S  S31  1  0.857  0.475  0.378  1.0
[/CIF]
.