The structure described by Cs6OCl4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded to one O(1), one Cl(1), and four equivalent Cl(2) atoms to form a mixture of distorted face, corner, and edge-sharing CsCl5O octahedra. The corner-sharing octahedral tilt angles range from 0-64°. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. In the second Cl site, Cl(2) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs6Cl4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   9.516
_cell_length_c   9.516
_cell_angle_alpha   88.982
_cell_angle_beta   88.982
_cell_angle_gamma   88.982
_symmetry_Int_Tables_number   1
_cell_volume   861.371
_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  0.056  0.934  0.712  1.0
  Cs  Cs1  1  0.934  0.712  0.056  1.0
  Cs  Cs2  1  0.712  0.056  0.934  1.0
  Cs  Cs3  1  0.566  0.444  0.788  1.0
  Cs  Cs4  1  0.788  0.566  0.444  1.0
  Cs  Cs5  1  0.444  0.788  0.566  1.0
  Cs  Cs6  1  0.066  0.288  0.944  1.0
  Cs  Cs7  1  0.944  0.066  0.288  1.0
  Cs  Cs8  1  0.288  0.944  0.066  1.0
  Cs  Cs9  1  0.434  0.556  0.212  1.0
  Cs  Cs10  1  0.212  0.434  0.556  1.0
  Cs  Cs11  1  0.556  0.212  0.434  1.0
  Cl  Cl12  1  0.750  0.750  0.750  1.0
  Cl  Cl13  1  0.250  0.250  0.250  1.0
  Cl  Cl14  1  0.750  0.367  0.133  1.0
  Cl  Cl15  1  0.133  0.750  0.367  1.0
  Cl  Cl16  1  0.367  0.133  0.750  1.0
  Cl  Cl17  1  0.250  0.633  0.867  1.0
  Cl  Cl18  1  0.867  0.250  0.633  1.0
  Cl  Cl19  1  0.633  0.867  0.250  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Cs6OCl4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded to one O(1), one Cl(1), and four equivalent Cl(2) atoms to form a mixture of distorted face, corner, and edge-sharing CsCl5O octahedra. The corner-sharing octahedral tilt angles range from 0-64°. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. In the second Cl site, Cl(2) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs6Cl4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   9.516
_cell_length_c   9.516
_cell_angle_alpha   88.982
_cell_angle_beta   88.982
_cell_angle_gamma   88.982
_symmetry_Int_Tables_number   1
_cell_volume   861.371
_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  0.056  0.934  0.712  1.0
  Cs  Cs1  1  0.934  0.712  0.056  1.0
  Cs  Cs2  1  0.712  0.056  0.934  1.0
  Cs  Cs3  1  0.566  0.444  0.788  1.0
  Cs  Cs4  1  0.788  0.566  0.444  1.0
  Cs  Cs5  1  0.444  0.788  0.566  1.0
  Cs  Cs6  1  0.066  0.288  0.944  1.0
  Cs  Cs7  1  0.944  0.066  0.288  1.0
  Cs  Cs8  1  0.288  0.944  0.066  1.0
  Cs  Cs9  1  0.434  0.556  0.212  1.0
  Cs  Cs10  1  0.212  0.434  0.556  1.0
  Cs  Cs11  1  0.556  0.212  0.434  1.0
  Cl  Cl12  1  0.750  0.750  0.750  1.0
  Cl  Cl13  1  0.250  0.250  0.250  1.0
  Cl  Cl14  1  0.750  0.367  0.133  1.0
  Cl  Cl15  1  0.133  0.750  0.367  1.0
  Cl  Cl16  1  0.367  0.133  0.750  1.0
  Cl  Cl17  1  0.250  0.633  0.867  1.0
  Cl  Cl18  1  0.867  0.250  0.633  1.0
  Cl  Cl19  1  0.633  0.867  0.250  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
.