The structure described by K2IrF6 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with six equivalent K(1)F12 cuboctahedra, corners with three equivalent Ir(1)F6 octahedra, faces with eight equivalent K(1)F12 cuboctahedra, and faces with three equivalent Ir(1)F6 octahedra. The corner-sharing octahedral tilt angles are 20°. Ir(1) is bonded to six equivalent F(1) atoms to form IrF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2IrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.755
_cell_length_b   5.755
_cell_length_c   4.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.610
_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  0.667  0.333  0.287  1.0
  K  K1  1  0.333  0.667  0.713  1.0
  Ir  Ir2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.835  0.165  0.767  1.0
  F  F4  1  0.835  0.670  0.767  1.0
  F  F5  1  0.330  0.165  0.767  1.0
  F  F6  1  0.165  0.835  0.233  1.0
  F  F7  1  0.165  0.330  0.233  1.0
  F  F8  1  0.670  0.835  0.233  1.0
[/CIF]
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The structure described by K2IrF6 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with six equivalent K(1)F12 cuboctahedra, corners with three equivalent Ir(1)F6 octahedra, faces with eight equivalent K(1)F12 cuboctahedra, and faces with three equivalent Ir(1)F6 octahedra. The corner-sharing octahedral tilt angles are 20°. Ir(1) is bonded to six equivalent F(1) atoms to form IrF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2IrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.755
_cell_length_b   5.755
_cell_length_c   4.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.610
_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  0.667  0.333  0.287  1.0
  K  K1  1  0.333  0.667  0.713  1.0
  Ir  Ir2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.835  0.165  0.767  1.0
  F  F4  1  0.835  0.670  0.767  1.0
  F  F5  1  0.330  0.165  0.767  1.0
  F  F6  1  0.165  0.835  0.233  1.0
  F  F7  1  0.165  0.330  0.233  1.0
  F  F8  1  0.670  0.835  0.233  1.0
[/CIF]
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