The crystal structure described by K2Na2IrO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form edge-sharing NaO5 trigonal bipyramids. Ir(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Na(1), one Na(2), and one Ir(1) atom. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), one Na(1), one Na(2), and one Ir(1) atom to form distorted OK3Na2Ir octahedra that share corners with two equivalent O(2)K3Na2Ir octahedra, corners with four equivalent O(3)KNa4Ir octahedra, edges with two equivalent O(4)K3Na2Ir octahedra,  a faceface with one O(4)K3Na2Ir octahedra, and  a faceface with one O(3)KNa4Ir octahedra. The corner-sharing octahedral tilt angles range from 3-64°. In the third O site, O(3) is bonded to one K(2), two equivalent Na(1), two equivalent Na(2), and one Ir(1) atom to form distorted OKNa4Ir octahedra that share corners with four equivalent O(2)K3Na2Ir octahedra, corners with four equivalent O(4)K3Na2Ir octahedra,  an edgeedge with one O(4)K3Na2Ir octahedra, edges with two equivalent O(3)KNa4Ir octahedra, and  a faceface with one O(2)K3Na2Ir octahedra. The corner-sharing octahedral tilt angles range from 3-60°. In the fourth O site, O(4) is bonded to one K(2), two equivalent K(1), one Na(1), one Na(2), and one Ir(1) atom to form distorted OK3Na2Ir octahedra that share corners with two equivalent O(4)K3Na2Ir octahedra, corners with four equivalent O(3)KNa4Ir octahedra,  an edgeedge with one O(3)KNa4Ir octahedra, edges with two equivalent O(2)K3Na2Ir octahedra, and  a faceface with one O(2)K3Na2Ir octahedra. The corner-sharing octahedral tilt angles range from 16-60°. is represented by the CIF card [CIF]
data_K2Na2IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.297
_cell_length_b   6.088
_cell_length_c   9.455
_cell_angle_alpha   67.056
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   598.833
_cell_formula_units_Z   4
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  0.363  0.334  0.503  1.0
  K  K1  1  0.634  0.342  0.279  1.0
  K  K2  1  0.366  0.658  0.721  1.0
  K  K3  1  0.134  0.658  0.221  1.0
  K  K4  1  0.866  0.342  0.779  1.0
  K  K5  1  0.637  0.666  0.497  1.0
  K  K6  1  0.137  0.334  0.003  1.0
  K  K7  1  0.863  0.666  0.997  1.0
  Na  Na8  1  0.113  0.068  0.405  1.0
  Na  Na9  1  0.608  0.434  0.906  1.0
  Na  Na10  1  0.392  0.566  0.094  1.0
  Na  Na11  1  0.613  0.932  0.095  1.0
  Na  Na12  1  0.892  0.434  0.406  1.0
  Na  Na13  1  0.387  0.068  0.905  1.0
  Na  Na14  1  0.108  0.566  0.594  1.0
  Na  Na15  1  0.887  0.932  0.595  1.0
  Ir  Ir16  1  0.370  0.986  0.271  1.0
  Ir  Ir17  1  0.630  0.014  0.729  1.0
  Ir  Ir18  1  0.130  0.986  0.771  1.0
  Ir  Ir19  1  0.870  0.014  0.229  1.0
  O  O20  1  0.535  0.282  0.724  1.0
  O  O21  1  0.035  0.718  0.776  1.0
  O  O22  1  0.730  0.221  0.566  1.0
  O  O23  1  0.770  0.221  0.066  1.0
  O  O24  1  0.465  0.201  0.101  1.0
  O  O25  1  0.965  0.799  0.399  1.0
  O  O26  1  0.465  0.718  0.276  1.0
  O  O27  1  0.035  0.201  0.601  1.0
  O  O28  1  0.775  0.743  0.239  1.0
  O  O29  1  0.225  0.257  0.761  1.0
  O  O30  1  0.275  0.257  0.261  1.0
  O  O31  1  0.535  0.799  0.899  1.0
  O  O32  1  0.725  0.743  0.739  1.0
  O  O33  1  0.270  0.779  0.434  1.0
  O  O34  1  0.230  0.779  0.934  1.0
  O  O35  1  0.965  0.282  0.224  1.0
[/CIF]
.
The crystal structure described by K2Na2IrO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form edge-sharing NaO5 trigonal bipyramids. Ir(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Na(1), one Na(2), and one Ir(1) atom. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), one Na(1), one Na(2), and one Ir(1) atom to form distorted OK3Na2Ir octahedra that share corners with two equivalent O(2)K3Na2Ir octahedra, corners with four equivalent O(3)KNa4Ir octahedra, edges with two equivalent O(4)K3Na2Ir octahedra,  a faceface with one O(4)K3Na2Ir octahedra, and  a faceface with one O(3)KNa4Ir octahedra. The corner-sharing octahedral tilt angles range from 3-64°. In the third O site, O(3) is bonded to one K(2), two equivalent Na(1), two equivalent Na(2), and one Ir(1) atom to form distorted OKNa4Ir octahedra that share corners with four equivalent O(2)K3Na2Ir octahedra, corners with four equivalent O(4)K3Na2Ir octahedra,  an edgeedge with one O(4)K3Na2Ir octahedra, edges with two equivalent O(3)KNa4Ir octahedra, and  a faceface with one O(2)K3Na2Ir octahedra. The corner-sharing octahedral tilt angles range from 3-60°. In the fourth O site, O(4) is bonded to one K(2), two equivalent K(1), one Na(1), one Na(2), and one Ir(1) atom to form distorted OK3Na2Ir octahedra that share corners with two equivalent O(4)K3Na2Ir octahedra, corners with four equivalent O(3)KNa4Ir octahedra,  an edgeedge with one O(3)KNa4Ir octahedra, edges with two equivalent O(2)K3Na2Ir octahedra, and  a faceface with one O(2)K3Na2Ir octahedra. The corner-sharing octahedral tilt angles range from 16-60°. is represented by the CIF card [CIF]
data_K2Na2IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.297
_cell_length_b   6.088
_cell_length_c   9.455
_cell_angle_alpha   67.056
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   598.833
_cell_formula_units_Z   4
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  0.363  0.334  0.503  1.0
  K  K1  1  0.634  0.342  0.279  1.0
  K  K2  1  0.366  0.658  0.721  1.0
  K  K3  1  0.134  0.658  0.221  1.0
  K  K4  1  0.866  0.342  0.779  1.0
  K  K5  1  0.637  0.666  0.497  1.0
  K  K6  1  0.137  0.334  0.003  1.0
  K  K7  1  0.863  0.666  0.997  1.0
  Na  Na8  1  0.113  0.068  0.405  1.0
  Na  Na9  1  0.608  0.434  0.906  1.0
  Na  Na10  1  0.392  0.566  0.094  1.0
  Na  Na11  1  0.613  0.932  0.095  1.0
  Na  Na12  1  0.892  0.434  0.406  1.0
  Na  Na13  1  0.387  0.068  0.905  1.0
  Na  Na14  1  0.108  0.566  0.594  1.0
  Na  Na15  1  0.887  0.932  0.595  1.0
  Ir  Ir16  1  0.370  0.986  0.271  1.0
  Ir  Ir17  1  0.630  0.014  0.729  1.0
  Ir  Ir18  1  0.130  0.986  0.771  1.0
  Ir  Ir19  1  0.870  0.014  0.229  1.0
  O  O20  1  0.535  0.282  0.724  1.0
  O  O21  1  0.035  0.718  0.776  1.0
  O  O22  1  0.730  0.221  0.566  1.0
  O  O23  1  0.770  0.221  0.066  1.0
  O  O24  1  0.465  0.201  0.101  1.0
  O  O25  1  0.965  0.799  0.399  1.0
  O  O26  1  0.465  0.718  0.276  1.0
  O  O27  1  0.035  0.201  0.601  1.0
  O  O28  1  0.775  0.743  0.239  1.0
  O  O29  1  0.225  0.257  0.761  1.0
  O  O30  1  0.275  0.257  0.261  1.0
  O  O31  1  0.535  0.799  0.899  1.0
  O  O32  1  0.725  0.743  0.739  1.0
  O  O33  1  0.270  0.779  0.434  1.0
  O  O34  1  0.230  0.779  0.934  1.0
  O  O35  1  0.965  0.282  0.224  1.0
[/CIF]
.