The crystal structure described by K4IrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ir(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent K(2), three equivalent K(1), and one Ir(1) atom to form a mixture of distorted face, corner, and edge-sharing OK5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-71°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   5.547
_cell_length_c   6.152
_cell_angle_alpha   77.358
_cell_angle_beta   77.358
_cell_angle_gamma   69.523
_symmetry_Int_Tables_number   1
_cell_volume   170.910
_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  0.623  0.623  0.136  1.0
  K  K1  1  0.192  0.192  0.415  1.0
  K  K2  1  0.377  0.377  0.864  1.0
  K  K3  1  0.808  0.808  0.585  1.0
  Ir  Ir4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.103  0.675  0.199  1.0
  O  O6  1  0.675  0.103  0.199  1.0
  O  O7  1  0.325  0.897  0.801  1.0
  O  O8  1  0.897  0.325  0.801  1.0
[/CIF]
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The crystal structure described by K4IrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ir(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent K(2), three equivalent K(1), and one Ir(1) atom to form a mixture of distorted face, corner, and edge-sharing OK5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-71°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   5.547
_cell_length_c   6.152
_cell_angle_alpha   77.358
_cell_angle_beta   77.358
_cell_angle_gamma   69.523
_symmetry_Int_Tables_number   1
_cell_volume   170.910
_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  0.623  0.623  0.136  1.0
  K  K1  1  0.192  0.192  0.415  1.0
  K  K2  1  0.377  0.377  0.864  1.0
  K  K3  1  0.808  0.808  0.585  1.0
  Ir  Ir4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.103  0.675  0.199  1.0
  O  O6  1  0.675  0.103  0.199  1.0
  O  O7  1  0.325  0.897  0.801  1.0
  O  O8  1  0.897  0.325  0.801  1.0
[/CIF]
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