The crystal structure described by K2TeBr6 crystallizes in the tetragonal P4/mnc space group. K(1) is bonded in a body-centered cubic geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Te(1) is bonded in an octahedral geometry to two equivalent Br(2) and four equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent K(1) and one Te(1) atom to form a mixture of edge and corner-sharing BrK4Te square pyramids. In the second Br site, Br(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_K2TeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.456
_cell_length_b   7.456
_cell_length_c   11.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.339
_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
  K  K0  1  0.000  0.500  0.250  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.000  0.500  0.750  1.0
  K  K3  1  0.500  0.000  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  0.193  0.304  0.500  1.0
  Br  Br7  1  0.807  0.696  0.500  1.0
  Br  Br8  1  0.000  0.000  0.245  1.0
  Br  Br9  1  0.500  0.500  0.255  1.0
  Br  Br10  1  0.000  0.000  0.755  1.0
  Br  Br11  1  0.500  0.500  0.745  1.0
  Br  Br12  1  0.196  0.307  0.000  1.0
  Br  Br13  1  0.693  0.196  0.000  1.0
  Br  Br14  1  0.307  0.804  0.000  1.0
  Br  Br15  1  0.696  0.193  0.500  1.0
  Br  Br16  1  0.304  0.807  0.500  1.0
  Br  Br17  1  0.804  0.693  0.000  1.0
[/CIF]
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The crystal structure described by K2TeBr6 crystallizes in the tetragonal P4/mnc space group. K(1) is bonded in a body-centered cubic geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Te(1) is bonded in an octahedral geometry to two equivalent Br(2) and four equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent K(1) and one Te(1) atom to form a mixture of edge and corner-sharing BrK4Te square pyramids. In the second Br site, Br(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_K2TeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.456
_cell_length_b   7.456
_cell_length_c   11.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.339
_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
  K  K0  1  0.000  0.500  0.250  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.000  0.500  0.750  1.0
  K  K3  1  0.500  0.000  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  0.193  0.304  0.500  1.0
  Br  Br7  1  0.807  0.696  0.500  1.0
  Br  Br8  1  0.000  0.000  0.245  1.0
  Br  Br9  1  0.500  0.500  0.255  1.0
  Br  Br10  1  0.000  0.000  0.755  1.0
  Br  Br11  1  0.500  0.500  0.745  1.0
  Br  Br12  1  0.196  0.307  0.000  1.0
  Br  Br13  1  0.693  0.196  0.000  1.0
  Br  Br14  1  0.307  0.804  0.000  1.0
  Br  Br15  1  0.696  0.193  0.500  1.0
  Br  Br16  1  0.304  0.807  0.500  1.0
  Br  Br17  1  0.804  0.693  0.000  1.0
[/CIF]
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