The structure described by KLi6IrO6 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 24-coordinate geometry to twelve equivalent Li(1) and twelve equivalent O(1) atoms. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and four equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), four equivalent Li(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi6IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.355
_cell_length_c   5.355
_cell_angle_alpha   101.378
_cell_angle_beta   101.378
_cell_angle_gamma   101.378
_symmetry_Int_Tables_number   1
_cell_volume   143.072
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.338  0.662  1.0
  Li  Li2  1  0.662  0.000  0.338  1.0
  Li  Li3  1  0.662  0.338  0.000  1.0
  Li  Li4  1  0.338  0.000  0.662  1.0
  Li  Li5  1  0.000  0.662  0.338  1.0
  Li  Li6  1  0.338  0.662  0.000  1.0
  Ir  Ir7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.077  0.726  0.726  1.0
  O  O9  1  0.726  0.726  0.077  1.0
  O  O10  1  0.923  0.274  0.274  1.0
  O  O11  1  0.274  0.274  0.923  1.0
  O  O12  1  0.274  0.923  0.274  1.0
  O  O13  1  0.726  0.077  0.726  1.0
[/CIF]
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The structure described by KLi6IrO6 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 24-coordinate geometry to twelve equivalent Li(1) and twelve equivalent O(1) atoms. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and four equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), four equivalent Li(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi6IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.355
_cell_length_c   5.355
_cell_angle_alpha   101.378
_cell_angle_beta   101.378
_cell_angle_gamma   101.378
_symmetry_Int_Tables_number   1
_cell_volume   143.072
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.338  0.662  1.0
  Li  Li2  1  0.662  0.000  0.338  1.0
  Li  Li3  1  0.662  0.338  0.000  1.0
  Li  Li4  1  0.338  0.000  0.662  1.0
  Li  Li5  1  0.000  0.662  0.338  1.0
  Li  Li6  1  0.338  0.662  0.000  1.0
  Ir  Ir7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.077  0.726  0.726  1.0
  O  O9  1  0.726  0.726  0.077  1.0
  O  O10  1  0.923  0.274  0.274  1.0
  O  O11  1  0.274  0.274  0.923  1.0
  O  O12  1  0.274  0.923  0.274  1.0
  O  O13  1  0.726  0.077  0.726  1.0
[/CIF]
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