The compound described by Na3Ir(NO2)6 crystallizes in the trigonal R-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of face and corner-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form a mixture of distorted face and corner-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. Ir(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a trigonal planar geometry to one Ir(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ir(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.849
_cell_length_b   6.849
_cell_length_c   6.849
_cell_angle_alpha   72.374
_cell_angle_beta   72.374
_cell_angle_gamma   72.374
_symmetry_Int_Tables_number   1
_cell_volume   283.862
_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  0.734  0.734  0.734  1.0
  Na  Na1  1  0.266  0.266  0.266  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.173  0.799  0.799  1.0
  N  N5  1  0.799  0.799  0.173  1.0
  N  N6  1  0.799  0.173  0.799  1.0
  N  N7  1  0.201  0.827  0.201  1.0
  N  N8  1  0.827  0.201  0.201  1.0
  N  N9  1  0.201  0.201  0.827  1.0
  O  O10  1  0.282  0.912  0.282  1.0
  O  O11  1  0.718  0.088  0.718  1.0
  O  O12  1  0.718  0.718  0.088  1.0
  O  O13  1  0.088  0.718  0.718  1.0
  O  O14  1  0.629  0.241  0.241  1.0
  O  O15  1  0.241  0.241  0.629  1.0
  O  O16  1  0.241  0.629  0.241  1.0
  O  O17  1  0.759  0.371  0.759  1.0
  O  O18  1  0.371  0.759  0.759  1.0
  O  O19  1  0.759  0.759  0.371  1.0
  O  O20  1  0.912  0.282  0.282  1.0
  O  O21  1  0.282  0.282  0.912  1.0
[/CIF]
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The compound described by Na3Ir(NO2)6 crystallizes in the trigonal R-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of face and corner-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form a mixture of distorted face and corner-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. Ir(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a trigonal planar geometry to one Ir(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ir(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.849
_cell_length_b   6.849
_cell_length_c   6.849
_cell_angle_alpha   72.374
_cell_angle_beta   72.374
_cell_angle_gamma   72.374
_symmetry_Int_Tables_number   1
_cell_volume   283.862
_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  0.734  0.734  0.734  1.0
  Na  Na1  1  0.266  0.266  0.266  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.173  0.799  0.799  1.0
  N  N5  1  0.799  0.799  0.173  1.0
  N  N6  1  0.799  0.173  0.799  1.0
  N  N7  1  0.201  0.827  0.201  1.0
  N  N8  1  0.827  0.201  0.201  1.0
  N  N9  1  0.201  0.201  0.827  1.0
  O  O10  1  0.282  0.912  0.282  1.0
  O  O11  1  0.718  0.088  0.718  1.0
  O  O12  1  0.718  0.718  0.088  1.0
  O  O13  1  0.088  0.718  0.718  1.0
  O  O14  1  0.629  0.241  0.241  1.0
  O  O15  1  0.241  0.241  0.629  1.0
  O  O16  1  0.241  0.629  0.241  1.0
  O  O17  1  0.759  0.371  0.759  1.0
  O  O18  1  0.371  0.759  0.759  1.0
  O  O19  1  0.759  0.759  0.371  1.0
  O  O20  1  0.912  0.282  0.282  1.0
  O  O21  1  0.282  0.282  0.912  1.0
[/CIF]
.