The crystal structure described by CsK(O4Cl)2 crystallizes in the trigonal R-3m space group. Cs(1) is bonded in a 14-coordinate geometry to two equivalent O(2) and twelve equivalent O(1) atoms. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one K(1), and one Cl(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1) and one Cl(1) atom. Cl(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsK(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.114
_cell_length_b   8.114
_cell_length_c   8.114
_cell_angle_alpha   42.663
_cell_angle_beta   42.663
_cell_angle_gamma   42.663
_symmetry_Int_Tables_number   1
_cell_volume   222.196
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.266  0.266  0.266  1.0
  Cl  Cl3  1  0.734  0.734  0.734  1.0
  O  O4  1  0.892  0.487  0.892  1.0
  O  O5  1  0.668  0.668  0.668  1.0
  O  O6  1  0.108  0.513  0.108  1.0
  O  O7  1  0.892  0.892  0.487  1.0
  O  O8  1  0.108  0.108  0.513  1.0
  O  O9  1  0.513  0.108  0.108  1.0
  O  O10  1  0.332  0.332  0.332  1.0
  O  O11  1  0.487  0.892  0.892  1.0
[/CIF]
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The crystal structure described by CsK(O4Cl)2 crystallizes in the trigonal R-3m space group. Cs(1) is bonded in a 14-coordinate geometry to two equivalent O(2) and twelve equivalent O(1) atoms. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one K(1), and one Cl(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1) and one Cl(1) atom. Cl(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsK(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.114
_cell_length_b   8.114
_cell_length_c   8.114
_cell_angle_alpha   42.663
_cell_angle_beta   42.663
_cell_angle_gamma   42.663
_symmetry_Int_Tables_number   1
_cell_volume   222.196
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.266  0.266  0.266  1.0
  Cl  Cl3  1  0.734  0.734  0.734  1.0
  O  O4  1  0.892  0.487  0.892  1.0
  O  O5  1  0.668  0.668  0.668  1.0
  O  O6  1  0.108  0.513  0.108  1.0
  O  O7  1  0.892  0.892  0.487  1.0
  O  O8  1  0.108  0.108  0.513  1.0
  O  O9  1  0.513  0.108  0.108  1.0
  O  O10  1  0.332  0.332  0.332  1.0
  O  O11  1  0.487  0.892  0.892  1.0
[/CIF]
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