The material structure described by Cs2TeCl6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with four equivalent Te(1)Cl6 octahedra. Te(1) is bonded to six equivalent Cl(1) atoms to form TeCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. Cl(1) is bonded to four equivalent Cs(1) and one Te(1) atom to form a mixture of distorted edge, face, and corner-sharing ClCs4Te square pyramids. is represented by the CIF file [CIF]
data_Cs2TeCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.466
_cell_length_b   7.466
_cell_length_c   7.466
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   294.269
_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
  Cs  Cs0  1  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.242  0.758  0.758  1.0
  Cl  Cl4  1  0.242  0.758  0.242  1.0
  Cl  Cl5  1  0.758  0.242  0.758  1.0
  Cl  Cl6  1  0.758  0.242  0.242  1.0
  Cl  Cl7  1  0.758  0.758  0.242  1.0
  Cl  Cl8  1  0.242  0.242  0.758  1.0
[/CIF]
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The material structure described by Cs2TeCl6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with four equivalent Te(1)Cl6 octahedra. Te(1) is bonded to six equivalent Cl(1) atoms to form TeCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. Cl(1) is bonded to four equivalent Cs(1) and one Te(1) atom to form a mixture of distorted edge, face, and corner-sharing ClCs4Te square pyramids. is represented by the CIF file [CIF]
data_Cs2TeCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.466
_cell_length_b   7.466
_cell_length_c   7.466
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   294.269
_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
  Cs  Cs0  1  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.242  0.758  0.758  1.0
  Cl  Cl4  1  0.242  0.758  0.242  1.0
  Cl  Cl5  1  0.758  0.242  0.758  1.0
  Cl  Cl6  1  0.758  0.242  0.242  1.0
  Cl  Cl7  1  0.758  0.758  0.242  1.0
  Cl  Cl8  1  0.242  0.242  0.758  1.0
[/CIF]
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