The compound described by CsO3Cl is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cs(1) and one Cl(1) atom to form a mixture of distorted corner and edge-sharing OCs3Cl tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.151
_cell_length_b   5.213
_cell_length_c   7.843
_cell_angle_alpha   69.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.147
_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  0.750  0.642  0.713  1.0
  Cs  Cs1  1  0.250  0.358  0.287  1.0
  Cl  Cl2  1  0.750  0.871  0.178  1.0
  Cl  Cl3  1  0.250  0.129  0.822  1.0
  O  O4  1  0.947  0.856  0.295  1.0
  O  O5  1  0.553  0.856  0.295  1.0
  O  O6  1  0.250  0.384  0.872  1.0
  O  O7  1  0.750  0.616  0.128  1.0
  O  O8  1  0.447  0.144  0.705  1.0
  O  O9  1  0.053  0.144  0.705  1.0
[/CIF]
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The compound described by CsO3Cl is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cs(1) and one Cl(1) atom to form a mixture of distorted corner and edge-sharing OCs3Cl tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.151
_cell_length_b   5.213
_cell_length_c   7.843
_cell_angle_alpha   69.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.147
_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  0.750  0.642  0.713  1.0
  Cs  Cs1  1  0.250  0.358  0.287  1.0
  Cl  Cl2  1  0.750  0.871  0.178  1.0
  Cl  Cl3  1  0.250  0.129  0.822  1.0
  O  O4  1  0.947  0.856  0.295  1.0
  O  O5  1  0.553  0.856  0.295  1.0
  O  O6  1  0.250  0.384  0.872  1.0
  O  O7  1  0.750  0.616  0.128  1.0
  O  O8  1  0.447  0.144  0.705  1.0
  O  O9  1  0.053  0.144  0.705  1.0
[/CIF]
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