The compound described by Tl2TeBr6 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and two TeBr6 clusters. In each TeBr6 cluster, Te(1) is bonded in an octahedral geometry to two equivalent Br(2) and four Br(1,1) atoms. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom. In the second Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. In the third Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_Tl2TeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   11.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.795
_cell_formula_units_Z   2
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  0.500  0.000  0.750  1.0
  Tl  Tl1  1  0.000  0.500  0.750  1.0
  Tl  Tl2  1  0.500  0.000  0.250  1.0
  Tl  Tl3  1  0.000  0.500  0.250  1.0
  Te  Te4  1  0.500  0.500  0.500  1.0
  Te  Te5  1  0.000  0.000  0.000  1.0
  Br  Br6  1  0.192  0.299  0.500  1.0
  Br  Br7  1  0.808  0.701  0.500  1.0
  Br  Br8  1  0.799  0.692  0.000  1.0
  Br  Br9  1  0.299  0.808  0.500  1.0
  Br  Br10  1  0.701  0.192  0.500  1.0
  Br  Br11  1  0.308  0.799  0.000  1.0
  Br  Br12  1  0.000  0.000  0.245  1.0
  Br  Br13  1  0.500  0.500  0.255  1.0
  Br  Br14  1  0.000  0.000  0.755  1.0
  Br  Br15  1  0.500  0.500  0.745  1.0
  Br  Br16  1  0.201  0.308  0.000  1.0
  Br  Br17  1  0.692  0.201  0.000  1.0
[/CIF]
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The compound described by Tl2TeBr6 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and two TeBr6 clusters. In each TeBr6 cluster, Te(1) is bonded in an octahedral geometry to two equivalent Br(2) and four Br(1,1) atoms. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom. In the second Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. In the third Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_Tl2TeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   11.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.795
_cell_formula_units_Z   2
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  0.500  0.000  0.750  1.0
  Tl  Tl1  1  0.000  0.500  0.750  1.0
  Tl  Tl2  1  0.500  0.000  0.250  1.0
  Tl  Tl3  1  0.000  0.500  0.250  1.0
  Te  Te4  1  0.500  0.500  0.500  1.0
  Te  Te5  1  0.000  0.000  0.000  1.0
  Br  Br6  1  0.192  0.299  0.500  1.0
  Br  Br7  1  0.808  0.701  0.500  1.0
  Br  Br8  1  0.799  0.692  0.000  1.0
  Br  Br9  1  0.299  0.808  0.500  1.0
  Br  Br10  1  0.701  0.192  0.500  1.0
  Br  Br11  1  0.308  0.799  0.000  1.0
  Br  Br12  1  0.000  0.000  0.245  1.0
  Br  Br13  1  0.500  0.500  0.255  1.0
  Br  Br14  1  0.000  0.000  0.755  1.0
  Br  Br15  1  0.500  0.500  0.745  1.0
  Br  Br16  1  0.201  0.308  0.000  1.0
  Br  Br17  1  0.692  0.201  0.000  1.0
[/CIF]
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