The material described by CdTl2Te4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with four equivalent Tl(1)Te4 tetrahedra and corners with four equivalent Tl(2)Te4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Te(1) atoms to form TlTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with four equivalent Tl(2)Te4 tetrahedra. In the second Tl site, Tl(2) is bonded to four equivalent Te(1) atoms to form TlTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with four equivalent Tl(1)Te4 tetrahedra. Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Tl(1), and one Tl(2) atom. is represented by the CIF card [CIF]
data_Tl2CdTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.932
_cell_length_b   7.932
_cell_length_c   7.932
_cell_angle_alpha   132.227
_cell_angle_beta   132.227
_cell_angle_gamma   69.871
_symmetry_Int_Tables_number   1
_cell_volume   268.286
_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
  Tl  Tl0  1  0.250  0.750  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.422  0.916  0.063  1.0
  Te  Te4  1  0.853  0.359  0.937  1.0
  Te  Te5  1  0.084  0.147  0.506  1.0
  Te  Te6  1  0.641  0.578  0.494  1.0
[/CIF]
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The material described by CdTl2Te4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with four equivalent Tl(1)Te4 tetrahedra and corners with four equivalent Tl(2)Te4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Te(1) atoms to form TlTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with four equivalent Tl(2)Te4 tetrahedra. In the second Tl site, Tl(2) is bonded to four equivalent Te(1) atoms to form TlTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with four equivalent Tl(1)Te4 tetrahedra. Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Tl(1), and one Tl(2) atom. is represented by the CIF card [CIF]
data_Tl2CdTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.932
_cell_length_b   7.932
_cell_length_c   7.932
_cell_angle_alpha   132.227
_cell_angle_beta   132.227
_cell_angle_gamma   69.871
_symmetry_Int_Tables_number   1
_cell_volume   268.286
_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
  Tl  Tl0  1  0.250  0.750  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.422  0.916  0.063  1.0
  Te  Te4  1  0.853  0.359  0.937  1.0
  Te  Te5  1  0.084  0.147  0.506  1.0
  Te  Te6  1  0.641  0.578  0.494  1.0
[/CIF]
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