The crystal structure described by TlTe crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Te(4), two equivalent Te(1), and two equivalent Te(5) atoms. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one Tl(2), one Te(5), two equivalent Te(1), and three equivalent Te(4) atoms. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a 10-coordinate geometry to four equivalent Tl(1), four equivalent Tl(2), and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a square co-planar geometry to two equivalent Te(2) and two equivalent Te(5) atoms. In the third Te site, Te(3) is bonded in a square co-planar geometry to two equivalent Te(3) and two equivalent Te(4) atoms. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Tl(1), six equivalent Tl(2), and one Te(3) atom. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to two equivalent Tl(2), four equivalent Tl(1), and one Te(2) atom. is represented by the CIF card [CIF]
data_TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.290
_cell_length_b   9.819
_cell_length_c   9.819
_cell_angle_alpha   84.111
_cell_angle_beta   71.319
_cell_angle_gamma   71.319
_symmetry_Int_Tables_number   1
_cell_volume   544.244
_cell_formula_units_Z   8
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
  Te  Te0  1  0.500  0.500  0.500  1.0
  Te  Te1  1  0.000  0.500  0.500  1.0
  Te  Te2  1  0.250  0.000  0.000  1.0
  Te  Te3  1  0.750  0.000  0.000  1.0
  Te  Te4  1  0.087  0.327  0.000  1.0
  Te  Te5  1  0.913  0.000  0.673  1.0
  Te  Te6  1  0.587  0.000  0.327  1.0
  Te  Te7  1  0.413  0.673  0.000  1.0
  Tl  Tl8  1  0.829  0.649  0.193  1.0
  Tl  Tl9  1  0.978  0.193  0.351  1.0
  Tl  Tl10  1  0.671  0.351  0.807  1.0
  Tl  Tl11  1  0.022  0.649  0.807  1.0
  Tl  Tl12  1  0.171  0.807  0.351  1.0
  Tl  Tl13  1  0.329  0.193  0.649  1.0
  Tl  Tl14  1  0.478  0.351  0.193  1.0
  Tl  Tl15  1  0.522  0.807  0.649  1.0
[/CIF]
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The crystal structure described by TlTe crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Te(4), two equivalent Te(1), and two equivalent Te(5) atoms. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one Tl(2), one Te(5), two equivalent Te(1), and three equivalent Te(4) atoms. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a 10-coordinate geometry to four equivalent Tl(1), four equivalent Tl(2), and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a square co-planar geometry to two equivalent Te(2) and two equivalent Te(5) atoms. In the third Te site, Te(3) is bonded in a square co-planar geometry to two equivalent Te(3) and two equivalent Te(4) atoms. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Tl(1), six equivalent Tl(2), and one Te(3) atom. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to two equivalent Tl(2), four equivalent Tl(1), and one Te(2) atom. is represented by the CIF card [CIF]
data_TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.290
_cell_length_b   9.819
_cell_length_c   9.819
_cell_angle_alpha   84.111
_cell_angle_beta   71.319
_cell_angle_gamma   71.319
_symmetry_Int_Tables_number   1
_cell_volume   544.244
_cell_formula_units_Z   8
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
  Te  Te0  1  0.500  0.500  0.500  1.0
  Te  Te1  1  0.000  0.500  0.500  1.0
  Te  Te2  1  0.250  0.000  0.000  1.0
  Te  Te3  1  0.750  0.000  0.000  1.0
  Te  Te4  1  0.087  0.327  0.000  1.0
  Te  Te5  1  0.913  0.000  0.673  1.0
  Te  Te6  1  0.587  0.000  0.327  1.0
  Te  Te7  1  0.413  0.673  0.000  1.0
  Tl  Tl8  1  0.829  0.649  0.193  1.0
  Tl  Tl9  1  0.978  0.193  0.351  1.0
  Tl  Tl10  1  0.671  0.351  0.807  1.0
  Tl  Tl11  1  0.022  0.649  0.807  1.0
  Tl  Tl12  1  0.171  0.807  0.351  1.0
  Tl  Tl13  1  0.329  0.193  0.649  1.0
  Tl  Tl14  1  0.478  0.351  0.193  1.0
  Tl  Tl15  1  0.522  0.807  0.649  1.0
[/CIF]
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