The crystal structure described by Tl5Te3 crystallizes in the tetragonal I-4 space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Tl(3), one Te(2), and three equivalent Te(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(3), one Te(2), and three equivalent Te(1) atoms. In the third Tl site, Tl(3) is bonded in a 6-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), one Te(2), and one Te(3) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Tl(1), three equivalent Tl(2), and one Te(3) atom to form a mixture of distorted edge, face, and corner-sharing TeTl6Te hexagonal pyramids. In the second Te site, Te(2) is bonded in a 10-coordinate geometry to two equivalent Tl(3), four equivalent Tl(1), and four equivalent Tl(2) atoms. In the third Te site, Te(3) is bonded in an octahedral geometry to two equivalent Tl(3) and four equivalent Te(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl5Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   9.359
_cell_angle_alpha   120.738
_cell_angle_beta   120.738
_cell_angle_gamma   88.726
_symmetry_Int_Tables_number   1
_cell_volume   573.079
_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  0.445  0.016  0.186  1.0
  Tl  Tl1  1  0.984  0.170  0.429  1.0
  Tl  Tl2  1  0.741  0.555  0.571  1.0
  Tl  Tl3  1  0.830  0.259  0.814  1.0
  Tl  Tl4  1  0.552  0.978  0.802  1.0
  Tl  Tl5  1  0.022  0.823  0.574  1.0
  Tl  Tl6  1  0.249  0.448  0.426  1.0
  Tl  Tl7  1  0.177  0.751  0.198  1.0
  Tl  Tl8  1  0.258  0.258  0.000  1.0
  Tl  Tl9  1  0.742  0.742  0.000  1.0
  Te  Te10  1  0.808  0.389  0.209  1.0
  Te  Te11  1  0.611  0.819  0.419  1.0
  Te  Te12  1  0.400  0.192  0.581  1.0
  Te  Te13  1  0.181  0.600  0.791  1.0
  Te  Te14  1  0.000  0.000  0.000  1.0
  Te  Te15  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Tl5Te3 crystallizes in the tetragonal I-4 space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Tl(3), one Te(2), and three equivalent Te(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(3), one Te(2), and three equivalent Te(1) atoms. In the third Tl site, Tl(3) is bonded in a 6-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), one Te(2), and one Te(3) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Tl(1), three equivalent Tl(2), and one Te(3) atom to form a mixture of distorted edge, face, and corner-sharing TeTl6Te hexagonal pyramids. In the second Te site, Te(2) is bonded in a 10-coordinate geometry to two equivalent Tl(3), four equivalent Tl(1), and four equivalent Tl(2) atoms. In the third Te site, Te(3) is bonded in an octahedral geometry to two equivalent Tl(3) and four equivalent Te(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl5Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   9.359
_cell_angle_alpha   120.738
_cell_angle_beta   120.738
_cell_angle_gamma   88.726
_symmetry_Int_Tables_number   1
_cell_volume   573.079
_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  0.445  0.016  0.186  1.0
  Tl  Tl1  1  0.984  0.170  0.429  1.0
  Tl  Tl2  1  0.741  0.555  0.571  1.0
  Tl  Tl3  1  0.830  0.259  0.814  1.0
  Tl  Tl4  1  0.552  0.978  0.802  1.0
  Tl  Tl5  1  0.022  0.823  0.574  1.0
  Tl  Tl6  1  0.249  0.448  0.426  1.0
  Tl  Tl7  1  0.177  0.751  0.198  1.0
  Tl  Tl8  1  0.258  0.258  0.000  1.0
  Tl  Tl9  1  0.742  0.742  0.000  1.0
  Te  Te10  1  0.808  0.389  0.209  1.0
  Te  Te11  1  0.611  0.819  0.419  1.0
  Te  Te12  1  0.400  0.192  0.581  1.0
  Te  Te13  1  0.181  0.600  0.791  1.0
  Te  Te14  1  0.000  0.000  0.000  1.0
  Te  Te15  1  0.500  0.500  0.000  1.0
[/CIF]
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