The compound described by Cs2TeO3 is Krennerite-derived structured and crystallizes in the trigonal P321 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to six equivalent O(1) atoms to form distorted face-sharing CsO6 octahedra. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded to six equivalent O(1) atoms to form face-sharing CsO6 octahedra. Te(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   6.790
_cell_length_c   7.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   319.361
_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  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.667  0.333  0.635  1.0
  Cs  Cs2  1  0.333  0.667  0.365  1.0
  Cs  Cs3  1  0.000  0.000  0.500  1.0
  Te  Te4  1  0.667  0.333  0.163  1.0
  Te  Te5  1  0.333  0.667  0.837  1.0
  O  O6  1  0.146  0.756  0.731  1.0
  O  O7  1  0.391  0.244  0.269  1.0
  O  O8  1  0.756  0.146  0.269  1.0
  O  O9  1  0.854  0.609  0.269  1.0
  O  O10  1  0.244  0.391  0.731  1.0
  O  O11  1  0.609  0.854  0.731  1.0
[/CIF]
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The compound described by Cs2TeO3 is Krennerite-derived structured and crystallizes in the trigonal P321 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to six equivalent O(1) atoms to form distorted face-sharing CsO6 octahedra. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded to six equivalent O(1) atoms to form face-sharing CsO6 octahedra. Te(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   6.790
_cell_length_c   7.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   319.361
_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  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.667  0.333  0.635  1.0
  Cs  Cs2  1  0.333  0.667  0.365  1.0
  Cs  Cs3  1  0.000  0.000  0.500  1.0
  Te  Te4  1  0.667  0.333  0.163  1.0
  Te  Te5  1  0.333  0.667  0.837  1.0
  O  O6  1  0.146  0.756  0.731  1.0
  O  O7  1  0.391  0.244  0.269  1.0
  O  O8  1  0.756  0.146  0.269  1.0
  O  O9  1  0.854  0.609  0.269  1.0
  O  O10  1  0.244  0.391  0.731  1.0
  O  O11  1  0.609  0.854  0.731  1.0
[/CIF]
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