The material structure described by IrN7O12N2 crystallizes in the cubic Fm-3m space group. The structure consists of eight ammonia atoms inside a IrN7O12 framework. In the IrN7O12 framework, Ir(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in an octahedral geometry to six equivalent N(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent O(1) atoms. O(1) is bonded in a distorted T-shaped geometry to one Ir(1) and two equivalent N(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ir(N3O4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.693
_cell_length_b   6.693
_cell_length_c   6.693
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   211.977
_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  0.712  0.712  0.288  1.0
  N  N2  1  0.288  0.712  0.288  1.0
  N  N3  1  0.712  0.288  0.288  1.0
  N  N4  1  0.288  0.288  0.712  1.0
  N  N5  1  0.712  0.288  0.712  1.0
  N  N6  1  0.288  0.712  0.712  1.0
  N  N7  1  0.500  0.500  0.500  1.0
  N  N8  1  0.750  0.750  0.750  1.0
  N  N9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.000  0.663  0.337  1.0
  O  O11  1  0.000  0.000  0.337  1.0
  O  O12  1  0.663  0.000  0.337  1.0
  O  O13  1  0.000  0.337  0.663  1.0
  O  O14  1  0.663  0.337  0.000  1.0
  O  O15  1  0.000  0.337  0.000  1.0
  O  O16  1  0.337  0.000  0.000  1.0
  O  O17  1  0.337  0.663  0.000  1.0
  O  O18  1  0.337  0.000  0.663  1.0
  O  O19  1  0.663  0.000  0.000  1.0
  O  O20  1  0.000  0.000  0.663  1.0
  O  O21  1  0.000  0.663  0.000  1.0
[/CIF]
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The material structure described by IrN7O12N2 crystallizes in the cubic Fm-3m space group. The structure consists of eight ammonia atoms inside a IrN7O12 framework. In the IrN7O12 framework, Ir(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in an octahedral geometry to six equivalent N(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent O(1) atoms. O(1) is bonded in a distorted T-shaped geometry to one Ir(1) and two equivalent N(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ir(N3O4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.693
_cell_length_b   6.693
_cell_length_c   6.693
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   211.977
_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  0.712  0.712  0.288  1.0
  N  N2  1  0.288  0.712  0.288  1.0
  N  N3  1  0.712  0.288  0.288  1.0
  N  N4  1  0.288  0.288  0.712  1.0
  N  N5  1  0.712  0.288  0.712  1.0
  N  N6  1  0.288  0.712  0.712  1.0
  N  N7  1  0.500  0.500  0.500  1.0
  N  N8  1  0.750  0.750  0.750  1.0
  N  N9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.000  0.663  0.337  1.0
  O  O11  1  0.000  0.000  0.337  1.0
  O  O12  1  0.663  0.000  0.337  1.0
  O  O13  1  0.000  0.337  0.663  1.0
  O  O14  1  0.663  0.337  0.000  1.0
  O  O15  1  0.000  0.337  0.000  1.0
  O  O16  1  0.337  0.000  0.000  1.0
  O  O17  1  0.337  0.663  0.000  1.0
  O  O18  1  0.337  0.000  0.663  1.0
  O  O19  1  0.663  0.000  0.000  1.0
  O  O20  1  0.000  0.000  0.663  1.0
  O  O21  1  0.000  0.663  0.000  1.0
[/CIF]
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