The crystal structure described by Ba3YIr2O9 crystallizes in the hexagonal P6_3/mmc space group. The structure consists of two Ir2O3 clusters inside a Ba3YO6 framework. In each Ir2O3 cluster, Ir(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted L-shaped geometry to two equivalent Ir(1) atoms. In the Ba3YO6 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a distorted trigonal planar geometry to three equivalent O(2) atoms. Y(1) is bonded in a distorted octahedral geometry to six equivalent O(2) atoms. O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba3YIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.910
_cell_length_b   6.910
_cell_length_c   15.205
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   628.783
_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  0.000  0.000  0.250  1.0
  Ba  Ba1  1  0.000  0.000  0.750  1.0
  Ba  Ba2  1  0.333  0.667  0.892  1.0
  Ba  Ba3  1  0.667  0.333  0.392  1.0
  Ba  Ba4  1  0.667  0.333  0.108  1.0
  Ba  Ba5  1  0.333  0.667  0.608  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Y  Y7  1  0.000  0.000  0.500  1.0
  Ir  Ir8  1  0.333  0.667  0.161  1.0
  Ir  Ir9  1  0.667  0.333  0.661  1.0
  Ir  Ir10  1  0.667  0.333  0.839  1.0
  Ir  Ir11  1  0.333  0.667  0.339  1.0
  O  O12  1  0.454  0.909  0.250  1.0
  O  O13  1  0.546  0.454  0.750  1.0
  O  O14  1  0.909  0.454  0.750  1.0
  O  O15  1  0.091  0.546  0.250  1.0
  O  O16  1  0.454  0.546  0.250  1.0
  O  O17  1  0.546  0.091  0.750  1.0
  O  O18  1  0.865  0.730  0.396  1.0
  O  O19  1  0.135  0.865  0.896  1.0
  O  O20  1  0.730  0.865  0.896  1.0
  O  O21  1  0.270  0.135  0.396  1.0
  O  O22  1  0.865  0.135  0.396  1.0
  O  O23  1  0.135  0.270  0.604  1.0
  O  O24  1  0.135  0.865  0.604  1.0
  O  O25  1  0.135  0.270  0.896  1.0
  O  O26  1  0.730  0.865  0.604  1.0
  O  O27  1  0.270  0.135  0.104  1.0
  O  O28  1  0.865  0.730  0.104  1.0
  O  O29  1  0.865  0.135  0.104  1.0
[/CIF]
.
The crystal structure described by Ba3YIr2O9 crystallizes in the hexagonal P6_3/mmc space group. The structure consists of two Ir2O3 clusters inside a Ba3YO6 framework. In each Ir2O3 cluster, Ir(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted L-shaped geometry to two equivalent Ir(1) atoms. In the Ba3YO6 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a distorted trigonal planar geometry to three equivalent O(2) atoms. Y(1) is bonded in a distorted octahedral geometry to six equivalent O(2) atoms. O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba3YIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.910
_cell_length_b   6.910
_cell_length_c   15.205
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   628.783
_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  0.000  0.000  0.250  1.0
  Ba  Ba1  1  0.000  0.000  0.750  1.0
  Ba  Ba2  1  0.333  0.667  0.892  1.0
  Ba  Ba3  1  0.667  0.333  0.392  1.0
  Ba  Ba4  1  0.667  0.333  0.108  1.0
  Ba  Ba5  1  0.333  0.667  0.608  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Y  Y7  1  0.000  0.000  0.500  1.0
  Ir  Ir8  1  0.333  0.667  0.161  1.0
  Ir  Ir9  1  0.667  0.333  0.661  1.0
  Ir  Ir10  1  0.667  0.333  0.839  1.0
  Ir  Ir11  1  0.333  0.667  0.339  1.0
  O  O12  1  0.454  0.909  0.250  1.0
  O  O13  1  0.546  0.454  0.750  1.0
  O  O14  1  0.909  0.454  0.750  1.0
  O  O15  1  0.091  0.546  0.250  1.0
  O  O16  1  0.454  0.546  0.250  1.0
  O  O17  1  0.546  0.091  0.750  1.0
  O  O18  1  0.865  0.730  0.396  1.0
  O  O19  1  0.135  0.865  0.896  1.0
  O  O20  1  0.730  0.865  0.896  1.0
  O  O21  1  0.270  0.135  0.396  1.0
  O  O22  1  0.865  0.135  0.396  1.0
  O  O23  1  0.135  0.270  0.604  1.0
  O  O24  1  0.135  0.865  0.604  1.0
  O  O25  1  0.135  0.270  0.896  1.0
  O  O26  1  0.730  0.865  0.604  1.0
  O  O27  1  0.270  0.135  0.104  1.0
  O  O28  1  0.865  0.730  0.104  1.0
  O  O29  1  0.865  0.135  0.104  1.0
[/CIF]
.