The structure described by Ba3Ir2CdO9 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(2), two equivalent O(5), three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ir(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Cd(1)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-19°. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Cd(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Cd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CdO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ir(1), and one Cd(1) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ir(1), and one Cd(1) atom. In the fourth O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms to form distorted corner-sharing OBa4Ir2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ir(1), and one Cd(1) atom. is represented by the CIF file [CIF]
data_Ba3CdIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   5.956
_cell_length_c   14.785
_cell_angle_alpha   89.007
_cell_angle_beta   89.007
_cell_angle_gamma   119.658
_symmetry_Int_Tables_number   1
_cell_volume   455.511
_cell_formula_units_Z   2
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  0.329  0.659  0.586  1.0
  Ba  Ba1  1  0.671  0.341  0.414  1.0
  Ba  Ba2  1  0.341  0.671  0.914  1.0
  Ba  Ba3  1  0.659  0.329  0.086  1.0
  Ba  Ba4  1  0.998  0.002  0.750  1.0
  Ba  Ba5  1  0.002  0.998  0.250  1.0
  Cd  Cd6  1  0.000  0.000  0.500  1.0
  Cd  Cd7  1  0.000  0.000  0.000  1.0
  Ir  Ir8  1  0.652  0.317  0.664  1.0
  Ir  Ir9  1  0.348  0.683  0.336  1.0
  Ir  Ir10  1  0.683  0.348  0.836  1.0
  Ir  Ir11  1  0.317  0.652  0.164  1.0
  O  O12  1  0.396  0.208  0.925  1.0
  O  O13  1  0.604  0.792  0.075  1.0
  O  O14  1  0.792  0.604  0.575  1.0
  O  O15  1  0.208  0.396  0.425  1.0
  O  O16  1  0.512  0.488  0.750  1.0
  O  O17  1  0.488  0.512  0.250  1.0
  O  O18  1  0.787  0.136  0.591  1.0
  O  O19  1  0.213  0.864  0.409  1.0
  O  O20  1  0.864  0.213  0.909  1.0
  O  O21  1  0.136  0.787  0.091  1.0
  O  O22  1  0.325  0.145  0.600  1.0
  O  O23  1  0.675  0.855  0.400  1.0
  O  O24  1  0.855  0.675  0.900  1.0
  O  O25  1  0.145  0.325  0.100  1.0
  O  O26  1  0.512  0.027  0.761  1.0
  O  O27  1  0.488  0.973  0.239  1.0
  O  O28  1  0.973  0.488  0.739  1.0
  O  O29  1  0.027  0.512  0.261  1.0
[/CIF]
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The structure described by Ba3Ir2CdO9 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(2), two equivalent O(5), three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ir(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Cd(1)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-19°. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Cd(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Cd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CdO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ir(1), and one Cd(1) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ir(1), and one Cd(1) atom. In the fourth O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms to form distorted corner-sharing OBa4Ir2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ir(1), and one Cd(1) atom. is represented by the CIF file [CIF]
data_Ba3CdIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   5.956
_cell_length_c   14.785
_cell_angle_alpha   89.007
_cell_angle_beta   89.007
_cell_angle_gamma   119.658
_symmetry_Int_Tables_number   1
_cell_volume   455.511
_cell_formula_units_Z   2
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  0.329  0.659  0.586  1.0
  Ba  Ba1  1  0.671  0.341  0.414  1.0
  Ba  Ba2  1  0.341  0.671  0.914  1.0
  Ba  Ba3  1  0.659  0.329  0.086  1.0
  Ba  Ba4  1  0.998  0.002  0.750  1.0
  Ba  Ba5  1  0.002  0.998  0.250  1.0
  Cd  Cd6  1  0.000  0.000  0.500  1.0
  Cd  Cd7  1  0.000  0.000  0.000  1.0
  Ir  Ir8  1  0.652  0.317  0.664  1.0
  Ir  Ir9  1  0.348  0.683  0.336  1.0
  Ir  Ir10  1  0.683  0.348  0.836  1.0
  Ir  Ir11  1  0.317  0.652  0.164  1.0
  O  O12  1  0.396  0.208  0.925  1.0
  O  O13  1  0.604  0.792  0.075  1.0
  O  O14  1  0.792  0.604  0.575  1.0
  O  O15  1  0.208  0.396  0.425  1.0
  O  O16  1  0.512  0.488  0.750  1.0
  O  O17  1  0.488  0.512  0.250  1.0
  O  O18  1  0.787  0.136  0.591  1.0
  O  O19  1  0.213  0.864  0.409  1.0
  O  O20  1  0.864  0.213  0.909  1.0
  O  O21  1  0.136  0.787  0.091  1.0
  O  O22  1  0.325  0.145  0.600  1.0
  O  O23  1  0.675  0.855  0.400  1.0
  O  O24  1  0.855  0.675  0.900  1.0
  O  O25  1  0.145  0.325  0.100  1.0
  O  O26  1  0.512  0.027  0.761  1.0
  O  O27  1  0.488  0.973  0.239  1.0
  O  O28  1  0.973  0.488  0.739  1.0
  O  O29  1  0.027  0.512  0.261  1.0
[/CIF]
.