The material described by K(IrO2)4 crystallizes in the tetragonal I4/m space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Ir(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ir(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1) and three equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_K(IrO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.213
_cell_length_b   7.312
_cell_length_c   7.312
_cell_angle_alpha   87.233
_cell_angle_beta   77.307
_cell_angle_gamma   77.307
_symmetry_Int_Tables_number   1
_cell_volume   163.512
_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  0.000  0.000  1.0
  Ir  Ir1  1  0.834  0.815  0.517  1.0
  Ir  Ir2  1  0.166  0.185  0.483  1.0
  Ir  Ir3  1  0.351  0.483  0.815  1.0
  Ir  Ir4  1  0.649  0.517  0.185  1.0
  O  O5  1  0.453  0.706  0.387  1.0
  O  O6  1  0.547  0.294  0.613  1.0
  O  O7  1  0.840  0.613  0.706  1.0
  O  O8  1  0.160  0.387  0.294  1.0
  O  O9  1  0.203  0.947  0.647  1.0
  O  O10  1  0.797  0.053  0.353  1.0
  O  O11  1  0.850  0.353  0.947  1.0
  O  O12  1  0.150  0.647  0.053  1.0
[/CIF]
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The material described by K(IrO2)4 crystallizes in the tetragonal I4/m space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Ir(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ir(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1) and three equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_K(IrO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.213
_cell_length_b   7.312
_cell_length_c   7.312
_cell_angle_alpha   87.233
_cell_angle_beta   77.307
_cell_angle_gamma   77.307
_symmetry_Int_Tables_number   1
_cell_volume   163.512
_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  0.000  0.000  1.0
  Ir  Ir1  1  0.834  0.815  0.517  1.0
  Ir  Ir2  1  0.166  0.185  0.483  1.0
  Ir  Ir3  1  0.351  0.483  0.815  1.0
  Ir  Ir4  1  0.649  0.517  0.185  1.0
  O  O5  1  0.453  0.706  0.387  1.0
  O  O6  1  0.547  0.294  0.613  1.0
  O  O7  1  0.840  0.613  0.706  1.0
  O  O8  1  0.160  0.387  0.294  1.0
  O  O9  1  0.203  0.947  0.647  1.0
  O  O10  1  0.797  0.053  0.353  1.0
  O  O11  1  0.850  0.353  0.947  1.0
  O  O12  1  0.150  0.647  0.053  1.0
[/CIF]
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