The structure described by Tl6TeO12 crystallizes in the trigonal R-3 space group. Tl(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Te(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Tl(1) and one Te(1) atom. In the second O site, O(1) is bonded to four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing OTl4 tetrahedra. is represented by the CIF file [CIF]
data_Tl6TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.445
_cell_length_b   6.445
_cell_length_c   6.445
_cell_angle_alpha   97.804
_cell_angle_beta   97.804
_cell_angle_gamma   97.804
_symmetry_Int_Tables_number   1
_cell_volume   259.500
_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  0.696  0.393  0.865  1.0
  Tl  Tl1  1  0.393  0.865  0.696  1.0
  Tl  Tl2  1  0.865  0.696  0.393  1.0
  Tl  Tl3  1  0.304  0.607  0.135  1.0
  Tl  Tl4  1  0.607  0.135  0.304  1.0
  Tl  Tl5  1  0.135  0.304  0.607  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.422  0.175  0.601  1.0
  O  O8  1  0.175  0.601  0.422  1.0
  O  O9  1  0.601  0.422  0.175  1.0
  O  O10  1  0.578  0.825  0.399  1.0
  O  O11  1  0.825  0.399  0.578  1.0
  O  O12  1  0.399  0.578  0.825  1.0
  O  O13  1  0.033  0.928  0.706  1.0
  O  O14  1  0.294  0.967  0.072  1.0
  O  O15  1  0.072  0.294  0.967  1.0
  O  O16  1  0.967  0.072  0.294  1.0
  O  O17  1  0.706  0.033  0.928  1.0
  O  O18  1  0.928  0.706  0.033  1.0
[/CIF]
.
The structure described by Tl6TeO12 crystallizes in the trigonal R-3 space group. Tl(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Te(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Tl(1) and one Te(1) atom. In the second O site, O(1) is bonded to four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing OTl4 tetrahedra. is represented by the CIF file [CIF]
data_Tl6TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.445
_cell_length_b   6.445
_cell_length_c   6.445
_cell_angle_alpha   97.804
_cell_angle_beta   97.804
_cell_angle_gamma   97.804
_symmetry_Int_Tables_number   1
_cell_volume   259.500
_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  0.696  0.393  0.865  1.0
  Tl  Tl1  1  0.393  0.865  0.696  1.0
  Tl  Tl2  1  0.865  0.696  0.393  1.0
  Tl  Tl3  1  0.304  0.607  0.135  1.0
  Tl  Tl4  1  0.607  0.135  0.304  1.0
  Tl  Tl5  1  0.135  0.304  0.607  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.422  0.175  0.601  1.0
  O  O8  1  0.175  0.601  0.422  1.0
  O  O9  1  0.601  0.422  0.175  1.0
  O  O10  1  0.578  0.825  0.399  1.0
  O  O11  1  0.825  0.399  0.578  1.0
  O  O12  1  0.399  0.578  0.825  1.0
  O  O13  1  0.033  0.928  0.706  1.0
  O  O14  1  0.294  0.967  0.072  1.0
  O  O15  1  0.072  0.294  0.967  1.0
  O  O16  1  0.967  0.072  0.294  1.0
  O  O17  1  0.706  0.033  0.928  1.0
  O  O18  1  0.928  0.706  0.033  1.0
[/CIF]
.