The structure described by (K2BrCl6)2F2 crystallizes in the cubic Fm-3m space group. The structure consists of four hydrofluoric acid atoms inside a K2BrCl6 framework. In the K2BrCl6 framework, K(1) is bonded to twelve equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, and faces with four equivalent Br(1)Cl6 octahedra. Br(1) is bonded to six equivalent Cl(1) atoms to form BrCl6 octahedra that share faces with eight equivalent K(1)Cl12 cuboctahedra. Cl(1) is bonded to four equivalent K(1) and one Br(1) atom to form a mixture of face, corner, and edge-sharing ClK4Br square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2BrCl6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.159
_cell_length_c   7.159
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   259.408
_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
  K  K0  1  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  Br  Br2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.243  0.757  0.757  1.0
  Cl  Cl4  1  0.243  0.757  0.243  1.0
  Cl  Cl5  1  0.757  0.243  0.757  1.0
  Cl  Cl6  1  0.757  0.757  0.243  1.0
  Cl  Cl7  1  0.243  0.243  0.757  1.0
  Cl  Cl8  1  0.757  0.243  0.243  1.0
  F  F9  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by (K2BrCl6)2F2 crystallizes in the cubic Fm-3m space group. The structure consists of four hydrofluoric acid atoms inside a K2BrCl6 framework. In the K2BrCl6 framework, K(1) is bonded to twelve equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, and faces with four equivalent Br(1)Cl6 octahedra. Br(1) is bonded to six equivalent Cl(1) atoms to form BrCl6 octahedra that share faces with eight equivalent K(1)Cl12 cuboctahedra. Cl(1) is bonded to four equivalent K(1) and one Br(1) atom to form a mixture of face, corner, and edge-sharing ClK4Br square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2BrCl6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.159
_cell_length_c   7.159
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   259.408
_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
  K  K0  1  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  Br  Br2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.243  0.757  0.757  1.0
  Cl  Cl4  1  0.243  0.757  0.243  1.0
  Cl  Cl5  1  0.757  0.243  0.757  1.0
  Cl  Cl6  1  0.757  0.757  0.243  1.0
  Cl  Cl7  1  0.243  0.243  0.757  1.0
  Cl  Cl8  1  0.757  0.243  0.243  1.0
  F  F9  1  0.500  0.500  0.500  1.0
[/CIF]
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