The material described by K3Ir(NO2)6 crystallizes in the cubic Fm-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent N(1) atoms to form KN6 octahedra that share corners with six equivalent Ir(1)N6 octahedra. The corner-sharing octahedra are not tilted. In the second K site, K(2) is bonded in a distorted q4 geometry to twelve equivalent O(1) atoms. Ir(1) is bonded to six equivalent N(1) atoms to form IrN6 octahedra that share corners with six equivalent K(1)N6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a distorted single-bond geometry to one K(1), one Ir(1), and four equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent K(2), two equivalent N(1), and one O(1) atom. is represented by the CIF file [CIF]
data_K3Ir(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   283.754
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  K  K2  1  0.750  0.750  0.750  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.806  0.194  0.806  1.0
  N  N5  1  0.806  0.806  0.194  1.0
  N  N6  1  0.194  0.806  0.194  1.0
  N  N7  1  0.806  0.194  0.194  1.0
  N  N8  1  0.194  0.194  0.806  1.0
  N  N9  1  0.194  0.806  0.806  1.0
  O  O10  1  0.590  0.000  0.410  1.0
  O  O11  1  0.000  0.000  0.410  1.0
  O  O12  1  0.000  0.590  0.410  1.0
  O  O13  1  0.000  0.590  0.000  1.0
  O  O14  1  0.000  0.410  0.590  1.0
  O  O15  1  0.000  0.000  0.590  1.0
  O  O16  1  0.590  0.410  0.000  1.0
  O  O17  1  0.000  0.410  0.000  1.0
  O  O18  1  0.410  0.000  0.590  1.0
  O  O19  1  0.410  0.000  0.000  1.0
  O  O20  1  0.590  0.000  0.000  1.0
  O  O21  1  0.410  0.590  0.000  1.0
[/CIF]
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The material described by K3Ir(NO2)6 crystallizes in the cubic Fm-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent N(1) atoms to form KN6 octahedra that share corners with six equivalent Ir(1)N6 octahedra. The corner-sharing octahedra are not tilted. In the second K site, K(2) is bonded in a distorted q4 geometry to twelve equivalent O(1) atoms. Ir(1) is bonded to six equivalent N(1) atoms to form IrN6 octahedra that share corners with six equivalent K(1)N6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a distorted single-bond geometry to one K(1), one Ir(1), and four equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent K(2), two equivalent N(1), and one O(1) atom. is represented by the CIF file [CIF]
data_K3Ir(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   283.754
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  K  K2  1  0.750  0.750  0.750  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.806  0.194  0.806  1.0
  N  N5  1  0.806  0.806  0.194  1.0
  N  N6  1  0.194  0.806  0.194  1.0
  N  N7  1  0.806  0.194  0.194  1.0
  N  N8  1  0.194  0.194  0.806  1.0
  N  N9  1  0.194  0.806  0.806  1.0
  O  O10  1  0.590  0.000  0.410  1.0
  O  O11  1  0.000  0.000  0.410  1.0
  O  O12  1  0.000  0.590  0.410  1.0
  O  O13  1  0.000  0.590  0.000  1.0
  O  O14  1  0.000  0.410  0.590  1.0
  O  O15  1  0.000  0.000  0.590  1.0
  O  O16  1  0.590  0.410  0.000  1.0
  O  O17  1  0.000  0.410  0.000  1.0
  O  O18  1  0.410  0.000  0.590  1.0
  O  O19  1  0.410  0.000  0.000  1.0
  O  O20  1  0.590  0.000  0.000  1.0
  O  O21  1  0.410  0.590  0.000  1.0
[/CIF]
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