The structure described by Tl2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with six equivalent Tl(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Tl site, Tl(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with four equivalent Te(1)O6 octahedra, corners with six equivalent Tl(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Tl(2)O6 octahedra and edges with three equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Te site, Te(2) is bonded to six equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Tl(1)O6 octahedra and edges with three equivalent Tl(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(2) atom. is represented by the CIF file [CIF]
data_Tl2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.138
_cell_length_b   9.138
_cell_length_c   5.020
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   362.985
_cell_formula_units_Z   3
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  0.714  0.714  0.500  1.0
  Tl  Tl1  1  0.000  0.286  0.500  1.0
  Tl  Tl2  1  0.286  1.000  0.500  1.0
  Tl  Tl3  1  0.377  0.377  0.000  1.0
  Tl  Tl4  1  0.000  0.624  0.000  1.0
  Tl  Tl5  1  0.623  1.000  0.000  1.0
  Te  Te6  1  0.667  0.333  0.489  1.0
  Te  Te7  1  0.333  0.667  0.511  1.0
  Te  Te8  1  1.000  0.000  0.000  1.0
  O  O9  1  0.755  0.221  0.707  1.0
  O  O10  1  0.779  0.534  0.707  1.0
  O  O11  1  0.466  0.245  0.707  1.0
  O  O12  1  0.534  0.779  0.293  1.0
  O  O13  1  0.245  0.466  0.293  1.0
  O  O14  1  0.221  0.755  0.293  1.0
  O  O15  1  0.597  0.462  0.269  1.0
  O  O16  1  0.538  0.135  0.269  1.0
  O  O17  1  0.865  0.403  0.269  1.0
  O  O18  1  0.080  0.880  0.785  1.0
  O  O19  1  0.120  0.200  0.785  1.0
  O  O20  1  0.800  0.920  0.785  1.0
  O  O21  1  0.200  0.120  0.215  1.0
  O  O22  1  0.920  0.800  0.215  1.0
  O  O23  1  0.880  0.080  0.215  1.0
  O  O24  1  0.462  0.597  0.731  1.0
  O  O25  1  0.403  0.865  0.731  1.0
  O  O26  1  0.135  0.538  0.731  1.0
[/CIF]
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The structure described by Tl2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with six equivalent Tl(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Tl site, Tl(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with four equivalent Te(1)O6 octahedra, corners with six equivalent Tl(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Tl(2)O6 octahedra and edges with three equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Te site, Te(2) is bonded to six equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Tl(1)O6 octahedra and edges with three equivalent Tl(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(2) atom. is represented by the CIF file [CIF]
data_Tl2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.138
_cell_length_b   9.138
_cell_length_c   5.020
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   362.985
_cell_formula_units_Z   3
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  0.714  0.714  0.500  1.0
  Tl  Tl1  1  0.000  0.286  0.500  1.0
  Tl  Tl2  1  0.286  1.000  0.500  1.0
  Tl  Tl3  1  0.377  0.377  0.000  1.0
  Tl  Tl4  1  0.000  0.624  0.000  1.0
  Tl  Tl5  1  0.623  1.000  0.000  1.0
  Te  Te6  1  0.667  0.333  0.489  1.0
  Te  Te7  1  0.333  0.667  0.511  1.0
  Te  Te8  1  1.000  0.000  0.000  1.0
  O  O9  1  0.755  0.221  0.707  1.0
  O  O10  1  0.779  0.534  0.707  1.0
  O  O11  1  0.466  0.245  0.707  1.0
  O  O12  1  0.534  0.779  0.293  1.0
  O  O13  1  0.245  0.466  0.293  1.0
  O  O14  1  0.221  0.755  0.293  1.0
  O  O15  1  0.597  0.462  0.269  1.0
  O  O16  1  0.538  0.135  0.269  1.0
  O  O17  1  0.865  0.403  0.269  1.0
  O  O18  1  0.080  0.880  0.785  1.0
  O  O19  1  0.120  0.200  0.785  1.0
  O  O20  1  0.800  0.920  0.785  1.0
  O  O21  1  0.200  0.120  0.215  1.0
  O  O22  1  0.920  0.800  0.215  1.0
  O  O23  1  0.880  0.080  0.215  1.0
  O  O24  1  0.462  0.597  0.731  1.0
  O  O25  1  0.403  0.865  0.731  1.0
  O  O26  1  0.135  0.538  0.731  1.0
[/CIF]
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