The structure described by Ba3Ir2(NO2)12 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(4) and eight equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to eight equivalent O(2) atoms to form edge-sharing BaO8 hexagonal bipyramids. In the third Ba site, Ba(3) is bonded to four equivalent O(4) and eight equivalent O(2) atoms to form edge-sharing BaO12 cuboctahedra. Ir(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one O(1), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one N(1), and one N(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one O(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent N(3) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one O(4) atom. is represented by the CIF file [CIF]
data_Ba3Ir2(NO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.047
_cell_length_b   8.047
_cell_length_c   11.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   728.315
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ir  Ir3  1  0.500  0.000  0.752  1.0
  Ir  Ir4  1  0.000  0.500  0.248  1.0
  N  N5  1  0.500  0.000  0.506  1.0
  N  N6  1  0.000  0.500  0.099  1.0
  N  N7  1  0.860  0.699  0.321  1.0
  N  N8  1  0.301  0.140  0.679  1.0
  N  N9  1  0.140  0.699  0.321  1.0
  N  N10  1  0.699  0.140  0.679  1.0
  N  N11  1  0.500  0.000  0.901  1.0
  N  N12  1  0.000  0.500  0.494  1.0
  N  N13  1  0.140  0.301  0.321  1.0
  N  N14  1  0.699  0.860  0.679  1.0
  N  N15  1  0.860  0.301  0.321  1.0
  N  N16  1  0.301  0.860  0.679  1.0
  O  O17  1  0.344  0.162  0.570  1.0
  O  O18  1  0.760  0.746  0.058  1.0
  O  O19  1  0.000  0.824  0.314  1.0
  O  O20  1  0.500  0.419  0.753  1.0
  O  O21  1  0.656  0.162  0.570  1.0
  O  O22  1  0.240  0.746  0.058  1.0
  O  O23  1  0.162  0.344  0.430  1.0
  O  O24  1  0.746  0.760  0.942  1.0
  O  O25  1  0.419  0.500  0.247  1.0
  O  O26  1  0.824  0.000  0.686  1.0
  O  O27  1  0.746  0.240  0.942  1.0
  O  O28  1  0.162  0.656  0.430  1.0
  O  O29  1  0.254  0.240  0.942  1.0
  O  O30  1  0.838  0.656  0.430  1.0
  O  O31  1  0.581  0.500  0.247  1.0
  O  O32  1  0.176  0.000  0.686  1.0
  O  O33  1  0.838  0.344  0.430  1.0
  O  O34  1  0.254  0.760  0.942  1.0
  O  O35  1  0.240  0.254  0.058  1.0
  O  O36  1  0.656  0.838  0.570  1.0
  O  O37  1  0.000  0.176  0.314  1.0
  O  O38  1  0.500  0.581  0.753  1.0
  O  O39  1  0.760  0.254  0.058  1.0
  O  O40  1  0.344  0.838  0.570  1.0
[/CIF]
.
The structure described by Ba3Ir2(NO2)12 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(4) and eight equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to eight equivalent O(2) atoms to form edge-sharing BaO8 hexagonal bipyramids. In the third Ba site, Ba(3) is bonded to four equivalent O(4) and eight equivalent O(2) atoms to form edge-sharing BaO12 cuboctahedra. Ir(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one O(1), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one N(1), and one N(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one O(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent N(3) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one O(4) atom. is represented by the CIF file [CIF]
data_Ba3Ir2(NO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.047
_cell_length_b   8.047
_cell_length_c   11.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   728.315
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ir  Ir3  1  0.500  0.000  0.752  1.0
  Ir  Ir4  1  0.000  0.500  0.248  1.0
  N  N5  1  0.500  0.000  0.506  1.0
  N  N6  1  0.000  0.500  0.099  1.0
  N  N7  1  0.860  0.699  0.321  1.0
  N  N8  1  0.301  0.140  0.679  1.0
  N  N9  1  0.140  0.699  0.321  1.0
  N  N10  1  0.699  0.140  0.679  1.0
  N  N11  1  0.500  0.000  0.901  1.0
  N  N12  1  0.000  0.500  0.494  1.0
  N  N13  1  0.140  0.301  0.321  1.0
  N  N14  1  0.699  0.860  0.679  1.0
  N  N15  1  0.860  0.301  0.321  1.0
  N  N16  1  0.301  0.860  0.679  1.0
  O  O17  1  0.344  0.162  0.570  1.0
  O  O18  1  0.760  0.746  0.058  1.0
  O  O19  1  0.000  0.824  0.314  1.0
  O  O20  1  0.500  0.419  0.753  1.0
  O  O21  1  0.656  0.162  0.570  1.0
  O  O22  1  0.240  0.746  0.058  1.0
  O  O23  1  0.162  0.344  0.430  1.0
  O  O24  1  0.746  0.760  0.942  1.0
  O  O25  1  0.419  0.500  0.247  1.0
  O  O26  1  0.824  0.000  0.686  1.0
  O  O27  1  0.746  0.240  0.942  1.0
  O  O28  1  0.162  0.656  0.430  1.0
  O  O29  1  0.254  0.240  0.942  1.0
  O  O30  1  0.838  0.656  0.430  1.0
  O  O31  1  0.581  0.500  0.247  1.0
  O  O32  1  0.176  0.000  0.686  1.0
  O  O33  1  0.838  0.344  0.430  1.0
  O  O34  1  0.254  0.760  0.942  1.0
  O  O35  1  0.240  0.254  0.058  1.0
  O  O36  1  0.656  0.838  0.570  1.0
  O  O37  1  0.000  0.176  0.314  1.0
  O  O38  1  0.500  0.581  0.753  1.0
  O  O39  1  0.760  0.254  0.058  1.0
  O  O40  1  0.344  0.838  0.570  1.0
[/CIF]
.