The structure described by Cs2Na2IrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(3) and three equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(3) and four equivalent O(1) atoms to form distorted edge-sharing NaO5 trigonal bipyramids. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Ir site, Ir(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Ir(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Cs(2), three equivalent Cs(1), one Na(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one Na(1), one Na(2), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Cs2Na2IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.755
_cell_length_b   6.755
_cell_length_c   9.765
_cell_angle_alpha   77.516
_cell_angle_beta   77.516
_cell_angle_gamma   53.031
_symmetry_Int_Tables_number   1
_cell_volume   345.456
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.667  0.667  0.136  1.0
  Cs  Cs1  1  0.333  0.333  0.864  1.0
  Cs  Cs2  1  0.670  0.670  0.759  1.0
  Cs  Cs3  1  0.330  0.330  0.241  1.0
  Na  Na4  1  0.974  0.974  0.660  1.0
  Na  Na5  1  0.783  0.783  0.426  1.0
  Na  Na6  1  0.026  0.026  0.340  1.0
  Na  Na7  1  0.217  0.217  0.574  1.0
  Ir  Ir8  1  0.000  0.000  0.000  1.0
  Ir  Ir9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.389  0.844  0.470  1.0
  O  O11  1  0.156  0.611  0.530  1.0
  O  O12  1  0.875  0.875  0.907  1.0
  O  O13  1  0.895  0.895  0.186  1.0
  O  O14  1  0.611  0.156  0.530  1.0
  O  O15  1  0.125  0.125  0.093  1.0
  O  O16  1  0.105  0.105  0.814  1.0
  O  O17  1  0.844  0.389  0.470  1.0
[/CIF]
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The structure described by Cs2Na2IrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(3) and three equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(3) and four equivalent O(1) atoms to form distorted edge-sharing NaO5 trigonal bipyramids. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Ir site, Ir(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Ir(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Cs(2), three equivalent Cs(1), one Na(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one Na(1), one Na(2), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Cs2Na2IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.755
_cell_length_b   6.755
_cell_length_c   9.765
_cell_angle_alpha   77.516
_cell_angle_beta   77.516
_cell_angle_gamma   53.031
_symmetry_Int_Tables_number   1
_cell_volume   345.456
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.667  0.667  0.136  1.0
  Cs  Cs1  1  0.333  0.333  0.864  1.0
  Cs  Cs2  1  0.670  0.670  0.759  1.0
  Cs  Cs3  1  0.330  0.330  0.241  1.0
  Na  Na4  1  0.974  0.974  0.660  1.0
  Na  Na5  1  0.783  0.783  0.426  1.0
  Na  Na6  1  0.026  0.026  0.340  1.0
  Na  Na7  1  0.217  0.217  0.574  1.0
  Ir  Ir8  1  0.000  0.000  0.000  1.0
  Ir  Ir9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.389  0.844  0.470  1.0
  O  O11  1  0.156  0.611  0.530  1.0
  O  O12  1  0.875  0.875  0.907  1.0
  O  O13  1  0.895  0.895  0.186  1.0
  O  O14  1  0.611  0.156  0.530  1.0
  O  O15  1  0.125  0.125  0.093  1.0
  O  O16  1  0.105  0.105  0.814  1.0
  O  O17  1  0.844  0.389  0.470  1.0
[/CIF]
.