The material described by IrN5Cl(NO3)2 is Fluorite structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four nitric acid molecules and two IrN5Cl clusters. In each IrN5Cl cluster, Ir(1) is bonded in a 5-coordinate geometry to one N(3), four equivalent N(2), and one Cl(1) atom. There are two inequivalent N sites. In the first N site, N(3) is bonded in a single-bond geometry to one Ir(1) atom. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. Cl(1) is bonded in a single-bond geometry to one Ir(1) atom. is represented by the CIF file [CIF]
data_IrN7ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   7.154
_cell_length_c   7.154
_cell_angle_alpha   119.893
_cell_angle_beta   119.893
_cell_angle_gamma   90.186
_symmetry_Int_Tables_number   1
_cell_volume   259.307
_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  0.838  0.838  0.000  1.0
  N  N1  1  0.052  0.552  0.500  1.0
  N  N2  1  0.552  0.052  0.500  1.0
  N  N3  1  0.605  0.981  0.000  1.0
  N  N4  1  0.981  0.605  0.000  1.0
  N  N5  1  0.605  0.605  0.625  1.0
  N  N6  1  0.981  0.981  0.375  1.0
  N  N7  1  0.010  0.010  0.000  1.0
  Cl  Cl8  1  0.576  0.576  0.000  1.0
  O  O9  1  0.428  0.928  0.500  1.0
  O  O10  1  0.928  0.428  0.500  1.0
  O  O11  1  0.115  0.766  0.652  1.0
  O  O12  1  0.115  0.463  0.348  1.0
  O  O13  1  0.463  0.115  0.348  1.0
  O  O14  1  0.766  0.115  0.652  1.0
[/CIF]
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The material described by IrN5Cl(NO3)2 is Fluorite structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four nitric acid molecules and two IrN5Cl clusters. In each IrN5Cl cluster, Ir(1) is bonded in a 5-coordinate geometry to one N(3), four equivalent N(2), and one Cl(1) atom. There are two inequivalent N sites. In the first N site, N(3) is bonded in a single-bond geometry to one Ir(1) atom. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. Cl(1) is bonded in a single-bond geometry to one Ir(1) atom. is represented by the CIF file [CIF]
data_IrN7ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   7.154
_cell_length_c   7.154
_cell_angle_alpha   119.893
_cell_angle_beta   119.893
_cell_angle_gamma   90.186
_symmetry_Int_Tables_number   1
_cell_volume   259.307
_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  0.838  0.838  0.000  1.0
  N  N1  1  0.052  0.552  0.500  1.0
  N  N2  1  0.552  0.052  0.500  1.0
  N  N3  1  0.605  0.981  0.000  1.0
  N  N4  1  0.981  0.605  0.000  1.0
  N  N5  1  0.605  0.605  0.625  1.0
  N  N6  1  0.981  0.981  0.375  1.0
  N  N7  1  0.010  0.010  0.000  1.0
  Cl  Cl8  1  0.576  0.576  0.000  1.0
  O  O9  1  0.428  0.928  0.500  1.0
  O  O10  1  0.928  0.428  0.500  1.0
  O  O11  1  0.115  0.766  0.652  1.0
  O  O12  1  0.115  0.463  0.348  1.0
  O  O13  1  0.463  0.115  0.348  1.0
  O  O14  1  0.766  0.115  0.652  1.0
[/CIF]
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