The compound described by Cs5Te3 crystallizes in the tetragonal I4/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to four equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to four equivalent Cs(1), four equivalent Cs(2), and one Te(1) atom. In the second Te site, Te(2) is bonded in a 10-coordinate geometry to two equivalent Cs(3), four equivalent Cs(1), and four equivalent Cs(2) atoms. is represented by the CIF file [CIF]
data_Cs5Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   11.203
_cell_length_c   11.203
_cell_angle_alpha   84.307
_cell_angle_beta   71.665
_cell_angle_gamma   71.665
_symmetry_Int_Tables_number   1
_cell_volume   797.108
_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
  Cs  Cs0  1  0.274  0.134  0.317  1.0
  Cs  Cs1  1  0.726  0.866  0.683  1.0
  Cs  Cs2  1  0.409  0.317  0.865  1.0
  Cs  Cs3  1  0.591  0.683  0.135  1.0
  Cs  Cs4  1  0.088  0.130  0.694  1.0
  Cs  Cs5  1  0.912  0.870  0.306  1.0
  Cs  Cs6  1  0.217  0.695  0.870  1.0
  Cs  Cs7  1  0.783  0.305  0.130  1.0
  Cs  Cs8  1  0.750  0.500  0.500  1.0
  Cs  Cs9  1  0.250  0.500  0.500  1.0
  Te  Te10  1  0.301  0.000  0.000  1.0
  Te  Te11  1  0.699  0.000  0.000  1.0
  Te  Te12  1  0.343  0.813  0.502  1.0
  Te  Te13  1  0.657  0.187  0.498  1.0
  Te  Te14  1  0.156  0.501  0.187  1.0
  Te  Te15  1  0.844  0.499  0.813  1.0
[/CIF]
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The compound described by Cs5Te3 crystallizes in the tetragonal I4/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to four equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to four equivalent Cs(1), four equivalent Cs(2), and one Te(1) atom. In the second Te site, Te(2) is bonded in a 10-coordinate geometry to two equivalent Cs(3), four equivalent Cs(1), and four equivalent Cs(2) atoms. is represented by the CIF file [CIF]
data_Cs5Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   11.203
_cell_length_c   11.203
_cell_angle_alpha   84.307
_cell_angle_beta   71.665
_cell_angle_gamma   71.665
_symmetry_Int_Tables_number   1
_cell_volume   797.108
_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
  Cs  Cs0  1  0.274  0.134  0.317  1.0
  Cs  Cs1  1  0.726  0.866  0.683  1.0
  Cs  Cs2  1  0.409  0.317  0.865  1.0
  Cs  Cs3  1  0.591  0.683  0.135  1.0
  Cs  Cs4  1  0.088  0.130  0.694  1.0
  Cs  Cs5  1  0.912  0.870  0.306  1.0
  Cs  Cs6  1  0.217  0.695  0.870  1.0
  Cs  Cs7  1  0.783  0.305  0.130  1.0
  Cs  Cs8  1  0.750  0.500  0.500  1.0
  Cs  Cs9  1  0.250  0.500  0.500  1.0
  Te  Te10  1  0.301  0.000  0.000  1.0
  Te  Te11  1  0.699  0.000  0.000  1.0
  Te  Te12  1  0.343  0.813  0.502  1.0
  Te  Te13  1  0.657  0.187  0.498  1.0
  Te  Te14  1  0.156  0.501  0.187  1.0
  Te  Te15  1  0.844  0.499  0.813  1.0
[/CIF]
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