The material structure described by IrCl6(N2)2NO3 is Indium-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of twelve ammonia atoms, three nitric acid molecules, and three IrCl6 clusters. In each IrCl6 cluster, Ir(1) is bonded in an octahedral geometry to three equivalent Cl(1) and three equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ir(1) atom. is represented by the CIF card [CIF]
data_IrN5(Cl2O)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.067
_cell_length_b   9.067
_cell_length_c   9.067
_cell_angle_alpha   46.493
_cell_angle_beta   46.493
_cell_angle_gamma   46.493
_symmetry_Int_Tables_number   1
_cell_volume   358.065
_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
  Ir  Ir0  1  0.000  0.000  0.000  1.0
  N  N1  1  0.369  0.369  0.369  1.0
  N  N2  1  0.631  0.631  0.631  1.0
  N  N3  1  0.160  0.160  0.160  1.0
  N  N4  1  0.841  0.841  0.841  1.0
  N  N5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.904  0.904  0.357  1.0
  Cl  Cl7  1  0.357  0.904  0.904  1.0
  Cl  Cl8  1  0.904  0.357  0.904  1.0
  Cl  Cl9  1  0.096  0.096  0.643  1.0
  Cl  Cl10  1  0.643  0.096  0.096  1.0
  Cl  Cl11  1  0.096  0.643  0.096  1.0
  O  O12  1  0.601  0.601  0.297  1.0
  O  O13  1  0.297  0.601  0.601  1.0
  O  O14  1  0.601  0.297  0.601  1.0
[/CIF]
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The material structure described by IrCl6(N2)2NO3 is Indium-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of twelve ammonia atoms, three nitric acid molecules, and three IrCl6 clusters. In each IrCl6 cluster, Ir(1) is bonded in an octahedral geometry to three equivalent Cl(1) and three equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ir(1) atom. is represented by the CIF card [CIF]
data_IrN5(Cl2O)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.067
_cell_length_b   9.067
_cell_length_c   9.067
_cell_angle_alpha   46.493
_cell_angle_beta   46.493
_cell_angle_gamma   46.493
_symmetry_Int_Tables_number   1
_cell_volume   358.065
_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
  Ir  Ir0  1  0.000  0.000  0.000  1.0
  N  N1  1  0.369  0.369  0.369  1.0
  N  N2  1  0.631  0.631  0.631  1.0
  N  N3  1  0.160  0.160  0.160  1.0
  N  N4  1  0.841  0.841  0.841  1.0
  N  N5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.904  0.904  0.357  1.0
  Cl  Cl7  1  0.357  0.904  0.904  1.0
  Cl  Cl8  1  0.904  0.357  0.904  1.0
  Cl  Cl9  1  0.096  0.096  0.643  1.0
  Cl  Cl10  1  0.643  0.096  0.096  1.0
  Cl  Cl11  1  0.096  0.643  0.096  1.0
  O  O12  1  0.601  0.601  0.297  1.0
  O  O13  1  0.297  0.601  0.601  1.0
  O  O14  1  0.601  0.297  0.601  1.0
[/CIF]
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