The compound described by Na4IrO4 crystallizes in the tetragonal I4/m space group. Na(1) is bonded to five equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NaO5 trigonal bipyramids. Ir(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to five equivalent Na(1) and one Ir(1) atom to form a mixture of corner and edge-sharing ONa5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-16°. is represented by the CIF file [CIF]
data_Na4IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.698
_cell_length_b   5.530
_cell_length_c   5.532
_cell_angle_alpha   79.601
_cell_angle_beta   64.874
_cell_angle_gamma   64.867
_symmetry_Int_Tables_number   1
_cell_volume   117.791
_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
  Na  Na0  1  0.410  0.786  0.394  1.0
  Na  Na1  1  0.590  0.214  0.606  1.0
  Na  Na2  1  0.804  0.606  0.787  1.0
  Na  Na3  1  0.196  0.394  0.213  1.0
  Ir  Ir4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.742  0.343  0.172  1.0
  O  O6  1  0.258  0.657  0.828  1.0
  O  O7  1  0.914  0.828  0.344  1.0
  O  O8  1  0.086  0.172  0.656  1.0
[/CIF]
.
The compound described by Na4IrO4 crystallizes in the tetragonal I4/m space group. Na(1) is bonded to five equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NaO5 trigonal bipyramids. Ir(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to five equivalent Na(1) and one Ir(1) atom to form a mixture of corner and edge-sharing ONa5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-16°. is represented by the CIF file [CIF]
data_Na4IrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.698
_cell_length_b   5.530
_cell_length_c   5.532
_cell_angle_alpha   79.601
_cell_angle_beta   64.874
_cell_angle_gamma   64.867
_symmetry_Int_Tables_number   1
_cell_volume   117.791
_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
  Na  Na0  1  0.410  0.786  0.394  1.0
  Na  Na1  1  0.590  0.214  0.606  1.0
  Na  Na2  1  0.804  0.606  0.787  1.0
  Na  Na3  1  0.196  0.394  0.213  1.0
  Ir  Ir4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.742  0.343  0.172  1.0
  O  O6  1  0.258  0.657  0.828  1.0
  O  O7  1  0.914  0.828  0.344  1.0
  O  O8  1  0.086  0.172  0.656  1.0
[/CIF]
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