data_Tl3Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75
_cell_length_b   10.75
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Te5
_chemical_formula_sum   'Tl6 Te10'
_cell_volume   556.39
_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  Tl10  1  0.92  0.61  0.17  1.0
  Tl  Tl11  1  0.71  0.7  0.39  1.0
  Tl  Tl12  1  0.29  0.7  0.17  1.0
  Tl  Tl13  1  0.17  0.0  0.17  1.0
  Tl  Tl14  1  0.58  0.0  0.39  1.0
  Tl  Tl15  1  0.08  0.61  0.39  1.0
  Te  Te0  1  0.37  0.1  0.78  1.0
  Te  Te1  1  0.0  0.2  0.0  1.0
  Te  Te2  1  0.0  0.2  0.78  1.0
  Te  Te3  1  0.37  0.1  0.0  1.0
  Te  Te4  1  0.65  0.53  0.17  1.0
  Te  Te5  1  0.97  0.78  0.39  1.0
  Te  Te6  1  0.03  0.78  0.17  1.0
  Te  Te7  1  0.69  0.0  0.17  1.0
  Te  Te8  1  0.05  0.0  0.39  1.0
  Te  Te9  1  0.35  0.53  0.39  1.0

data_Tl3Te5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.56
_cell_length_b   10.75
_cell_length_c   10.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Te5
_chemical_formula_sum   'Tl6 Te10'
_cell_volume   556.39
_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  0.17  0.17  0.0  1.0
  Tl  Tl1  1  0.17  0.29  0.7  1.0
  Tl  Tl2  1  0.17  0.92  0.61  1.0
  Tl  Tl3  1  0.39  0.08  0.61  1.0
  Tl  Tl4  1  0.39  0.58  0.0  1.0
  Tl  Tl5  1  0.39  0.71  0.7  1.0
  Te  Te6  1  0.0  0.0  0.2  1.0
  Te  Te7  1  0.0  0.37  0.1  1.0
  Te  Te8  1  0.17  0.03  0.78  1.0
  Te  Te9  1  0.17  0.65  0.53  1.0
  Te  Te10  1  0.17  0.69  0.0  1.0
  Te  Te11  1  0.39  0.05  0.0  1.0
  Te  Te12  1  0.39  0.35  0.53  1.0
  Te  Te13  1  0.39  0.97  0.78  1.0
  Te  Te14  1  0.78  0.0  0.2  1.0
  Te  Te15  1  0.78  0.37  0.1  1.0

Tl Tl Tl Tl Tl Tl Te Te Te Te Te Te Te Te Te Te
Tl Tl Tl Tl Tl Tl Te Te Te Te Te Te Te Te Te Te 0 12 + o o 0 5 + o o 1 10 o o o 2 5 o o o 2 15 o o o 3 12 o - o 3 14 o o o 4 13 o o o 5 12 o o o 5 11 - o o 6 9 o o + 7 8 o o - 11 12 + o o 
Tl5Te7TlTe(Te)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one tellurium, mol. (te2) molecule; one thallium-telluride molecule; and one Tl5Te7 cluster. In the Tl5Te7 cluster, there are five inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Tl(6), one Te(5), one Te(6), and one Te(7) atom. The Tl(1)-Tl(6) bond length is 2.16 Å. The Tl(1)-Te(5) bond length is 2.51 Å. The Tl(1)-Te(6) bond length is 2.03 Å. The Tl(1)-Te(7) bond length is 1.61 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Te(5) and one Te(6) atom. The Tl(2)-Te(5) bond length is 2.03 Å. The Tl(2)-Te(6) bond length is 2.51 Å. In the third Tl site, Tl(3) is bonded in a 1-coordinate geometry to one Tl(6) and one Te(10) atom. The Tl(3)-Tl(6) bond length is 2.28 Å. The Tl(3)-Te(10) bond length is 2.51 Å. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one Te(4), one Te(7), and one Te(9) atom. The Tl(4)-Te(4) bond length is 2.15 Å. The Tl(4)-Te(7) bond length is 2.08 Å. The Tl(4)-Te(9) bond length is 1.71 Å. In the fifth Tl site, Tl(6) is bonded in a 5-coordinate geometry to one Tl(1), one Tl(3), one Te(10), one Te(6), and one Te(7) atom. The Tl(6)-Te(10) bond length is 3.34 Å. The Tl(6)-Te(6) bond length is 2.64 Å. The Tl(6)-Te(7) bond length is 2.51 Å. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Te(4) atom. The Te(1)-Te(4) bond length is 1.22 Å. In the second Te site, Te(4) is bonded in a bent 120 degrees geometry to one Tl(4) and one Te(1) atom. In the third Te site, Te(5) is bonded in an L-shaped geometry to one Tl(1) and one Tl(2) atom. In the fourth Te site, Te(6) is bonded in a 5-coordinate geometry to one Tl(1), one Tl(2), one Tl(6), one Te(7), and one Te(9) atom. The Te(6)-Te(7) bond length is 1.35 Å. The Te(6)-Te(9) bond length is 2.08 Å. In the fifth Te site, Te(7) is bonded in a distorted T-shaped geometry to one Tl(1), one Tl(4), one Tl(6), and one Te(6) atom. In the sixth Te site, Te(9) is bonded in a distorted single-bond geometry to one Tl(4) and one Te(6) atom. In the seventh Te site, Te(10) is bonded in a distorted single-bond geometry to one Tl(3) and one Tl(6) atom.