The material described by TeBr6 is Copper structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of two TeBr6 clusters. Te(1) is bonded in an octahedral geometry to two equivalent Br(1) and four equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_TeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.428
_cell_length_b   7.428
_cell_length_c   11.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.381
_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
  Te  Te0  1  0.500  0.500  0.500  1.0
  Te  Te1  1  0.000  0.000  0.000  1.0
  Br  Br2  1  0.500  0.500  0.268  1.0
  Br  Br3  1  0.000  0.000  0.768  1.0
  Br  Br4  1  0.500  0.500  0.732  1.0
  Br  Br5  1  0.000  0.000  0.232  1.0
  Br  Br6  1  0.781  0.705  0.500  1.0
  Br  Br7  1  0.219  0.295  0.500  1.0
  Br  Br8  1  0.719  0.205  0.000  1.0
  Br  Br9  1  0.281  0.795  0.000  1.0
  Br  Br10  1  0.705  0.219  0.500  1.0
  Br  Br11  1  0.295  0.781  0.500  1.0
  Br  Br12  1  0.205  0.281  0.000  1.0
  Br  Br13  1  0.795  0.719  0.000  1.0
[/CIF]
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The material described by TeBr6 is Copper structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of two TeBr6 clusters. Te(1) is bonded in an octahedral geometry to two equivalent Br(1) and four equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Te(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_TeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.428
_cell_length_b   7.428
_cell_length_c   11.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.381
_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
  Te  Te0  1  0.500  0.500  0.500  1.0
  Te  Te1  1  0.000  0.000  0.000  1.0
  Br  Br2  1  0.500  0.500  0.268  1.0
  Br  Br3  1  0.000  0.000  0.768  1.0
  Br  Br4  1  0.500  0.500  0.732  1.0
  Br  Br5  1  0.000  0.000  0.232  1.0
  Br  Br6  1  0.781  0.705  0.500  1.0
  Br  Br7  1  0.219  0.295  0.500  1.0
  Br  Br8  1  0.719  0.205  0.000  1.0
  Br  Br9  1  0.281  0.795  0.000  1.0
  Br  Br10  1  0.705  0.219  0.500  1.0
  Br  Br11  1  0.295  0.781  0.500  1.0
  Br  Br12  1  0.205  0.281  0.000  1.0
  Br  Br13  1  0.795  0.719  0.000  1.0
[/CIF]
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