The material structure described by Ba3RuIrZnO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Zn(1)O6 octahedra,  a faceface with one Zn(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ir(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(1) and nine equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ir(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Zn(1)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the third Ba site, Ba(3) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Zn(2)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Zn(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Ir(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form IrO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Zn(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second Zn site, Zn(2) is bonded to six equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ir(1) atom to form distorted OBa4IrRu octahedra that share corners with six equivalent O(1)Ba4IrRu octahedra, corners with eight equivalent O(2)Ba4ZnIr octahedra, edges with two equivalent O(2)Ba4ZnIr octahedra, faces with two equivalent O(2)Ba4ZnIr octahedra, and faces with four equivalent O(1)Ba4IrRu octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the second O site, O(2) is bonded to one Ba(1), three equivalent Ba(3), one Ir(1), and one Zn(2) atom to form distorted OBa4ZnIr octahedra that share corners with eight equivalent O(1)Ba4IrRu octahedra, corners with eleven equivalent O(2)Ba4ZnIr octahedra, edges with two equivalent O(1)Ba4IrRu octahedra, edges with two equivalent O(2)Ba4ZnIr octahedra, faces with two equivalent O(1)Ba4IrRu octahedra, and faces with six equivalent O(2)Ba4ZnIr octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Ru(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ba3ZnIrRuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.854
_cell_length_b   5.854
_cell_length_c   14.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   425.832
_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  0.249  1.0
  Ba  Ba1  1  0.000  0.000  0.751  1.0
  Ba  Ba2  1  0.333  0.667  0.586  1.0
  Ba  Ba3  1  0.667  0.333  0.414  1.0
  Ba  Ba4  1  0.667  0.333  0.085  1.0
  Ba  Ba5  1  0.333  0.667  0.915  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Ir  Ir8  1  0.667  0.333  0.840  1.0
  Ir  Ir9  1  0.333  0.667  0.160  1.0
  Ru  Ru10  1  0.333  0.667  0.342  1.0
  Ru  Ru11  1  0.667  0.333  0.658  1.0
  O  O12  1  0.488  0.512  0.250  1.0
  O  O13  1  0.488  0.977  0.250  1.0
  O  O14  1  0.023  0.512  0.250  1.0
  O  O15  1  0.512  0.488  0.750  1.0
  O  O16  1  0.512  0.023  0.750  1.0
  O  O17  1  0.977  0.488  0.750  1.0
  O  O18  1  0.172  0.828  0.084  1.0
  O  O19  1  0.172  0.344  0.084  1.0
  O  O20  1  0.656  0.828  0.084  1.0
  O  O21  1  0.828  0.172  0.916  1.0
  O  O22  1  0.828  0.656  0.916  1.0
  O  O23  1  0.344  0.172  0.916  1.0
  O  O24  1  0.828  0.172  0.584  1.0
  O  O25  1  0.828  0.655  0.584  1.0
  O  O26  1  0.345  0.172  0.584  1.0
  O  O27  1  0.172  0.828  0.416  1.0
  O  O28  1  0.172  0.345  0.416  1.0
  O  O29  1  0.655  0.828  0.416  1.0
[/CIF]
.
The material structure described by Ba3RuIrZnO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Zn(1)O6 octahedra,  a faceface with one Zn(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ir(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(1) and nine equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ir(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Zn(1)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the third Ba site, Ba(3) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Zn(2)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Zn(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Ir(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form IrO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Zn(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second Zn site, Zn(2) is bonded to six equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ir(1) atom to form distorted OBa4IrRu octahedra that share corners with six equivalent O(1)Ba4IrRu octahedra, corners with eight equivalent O(2)Ba4ZnIr octahedra, edges with two equivalent O(2)Ba4ZnIr octahedra, faces with two equivalent O(2)Ba4ZnIr octahedra, and faces with four equivalent O(1)Ba4IrRu octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the second O site, O(2) is bonded to one Ba(1), three equivalent Ba(3), one Ir(1), and one Zn(2) atom to form distorted OBa4ZnIr octahedra that share corners with eight equivalent O(1)Ba4IrRu octahedra, corners with eleven equivalent O(2)Ba4ZnIr octahedra, edges with two equivalent O(1)Ba4IrRu octahedra, edges with two equivalent O(2)Ba4ZnIr octahedra, faces with two equivalent O(1)Ba4IrRu octahedra, and faces with six equivalent O(2)Ba4ZnIr octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Ru(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ba3ZnIrRuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.854
_cell_length_b   5.854
_cell_length_c   14.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   425.832
_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  0.249  1.0
  Ba  Ba1  1  0.000  0.000  0.751  1.0
  Ba  Ba2  1  0.333  0.667  0.586  1.0
  Ba  Ba3  1  0.667  0.333  0.414  1.0
  Ba  Ba4  1  0.667  0.333  0.085  1.0
  Ba  Ba5  1  0.333  0.667  0.915  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Ir  Ir8  1  0.667  0.333  0.840  1.0
  Ir  Ir9  1  0.333  0.667  0.160  1.0
  Ru  Ru10  1  0.333  0.667  0.342  1.0
  Ru  Ru11  1  0.667  0.333  0.658  1.0
  O  O12  1  0.488  0.512  0.250  1.0
  O  O13  1  0.488  0.977  0.250  1.0
  O  O14  1  0.023  0.512  0.250  1.0
  O  O15  1  0.512  0.488  0.750  1.0
  O  O16  1  0.512  0.023  0.750  1.0
  O  O17  1  0.977  0.488  0.750  1.0
  O  O18  1  0.172  0.828  0.084  1.0
  O  O19  1  0.172  0.344  0.084  1.0
  O  O20  1  0.656  0.828  0.084  1.0
  O  O21  1  0.828  0.172  0.916  1.0
  O  O22  1  0.828  0.656  0.916  1.0
  O  O23  1  0.344  0.172  0.916  1.0
  O  O24  1  0.828  0.172  0.584  1.0
  O  O25  1  0.828  0.655  0.584  1.0
  O  O26  1  0.345  0.172  0.584  1.0
  O  O27  1  0.172  0.828  0.416  1.0
  O  O28  1  0.172  0.345  0.416  1.0
  O  O29  1  0.655  0.828  0.416  1.0
[/CIF]
.