The crystal structure described by Tl9LaTe6 crystallizes in the tetragonal I4/m space group. La(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form LaTe6 octahedra that share corners with six equivalent Tl(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) atoms. In the second Tl site, Tl(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form TlTe6 octahedra that share corners with six equivalent La(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to one La(1), one Tl(2), and six equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one La(1) and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(Tl3Te2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.286
_cell_length_b   9.286
_cell_length_c   9.286
_cell_angle_alpha   121.756
_cell_angle_beta   121.756
_cell_angle_gamma   86.985
_symmetry_Int_Tables_number   1
_cell_volume   550.346
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.803  0.007  0.493  1.0
  Tl  Tl2  1  0.515  0.310  0.507  1.0
  Tl  Tl3  1  0.310  0.803  0.796  1.0
  Tl  Tl4  1  0.007  0.515  0.204  1.0
  Tl  Tl5  1  0.197  0.993  0.507  1.0
  Tl  Tl6  1  0.485  0.690  0.493  1.0
  Tl  Tl7  1  0.690  0.197  0.204  1.0
  Tl  Tl8  1  0.993  0.485  0.796  1.0
  Tl  Tl9  1  0.500  0.500  0.000  1.0
  Te  Te10  1  0.847  0.672  0.519  1.0
  Te  Te11  1  0.153  0.328  0.481  1.0
  Te  Te12  1  0.328  0.847  0.175  1.0
  Te  Te13  1  0.672  0.153  0.825  1.0
  Te  Te14  1  0.761  0.761  0.000  1.0
  Te  Te15  1  0.239  0.239  0.000  1.0
[/CIF]
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The crystal structure described by Tl9LaTe6 crystallizes in the tetragonal I4/m space group. La(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form LaTe6 octahedra that share corners with six equivalent Tl(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) atoms. In the second Tl site, Tl(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form TlTe6 octahedra that share corners with six equivalent La(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to one La(1), one Tl(2), and six equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one La(1) and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(Tl3Te2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.286
_cell_length_b   9.286
_cell_length_c   9.286
_cell_angle_alpha   121.756
_cell_angle_beta   121.756
_cell_angle_gamma   86.985
_symmetry_Int_Tables_number   1
_cell_volume   550.346
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.803  0.007  0.493  1.0
  Tl  Tl2  1  0.515  0.310  0.507  1.0
  Tl  Tl3  1  0.310  0.803  0.796  1.0
  Tl  Tl4  1  0.007  0.515  0.204  1.0
  Tl  Tl5  1  0.197  0.993  0.507  1.0
  Tl  Tl6  1  0.485  0.690  0.493  1.0
  Tl  Tl7  1  0.690  0.197  0.204  1.0
  Tl  Tl8  1  0.993  0.485  0.796  1.0
  Tl  Tl9  1  0.500  0.500  0.000  1.0
  Te  Te10  1  0.847  0.672  0.519  1.0
  Te  Te11  1  0.153  0.328  0.481  1.0
  Te  Te12  1  0.328  0.847  0.175  1.0
  Te  Te13  1  0.672  0.153  0.825  1.0
  Te  Te14  1  0.761  0.761  0.000  1.0
  Te  Te15  1  0.239  0.239  0.000  1.0
[/CIF]
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