The crystal structure described by Ba8Ta2Ru3(O9Br)2 crystallizes in the trigonal R-3m space group. There are four 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(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent Br(1) atoms. In the third Ba site, Ba(3) 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(3)O12 cuboctahedra, corners with three equivalent Ta(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Br(1) atom. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Ru(2)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 3°. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Ta(1), and one Ru(2) atom to form distorted OBa4TaRu octahedra that share corners with six equivalent O(1)Ba4TaRu octahedra, corners with eight equivalent O(3)Ba4Ru2 octahedra,  a cornercorner with one Br(1)Ba5 trigonal bipyramid, edges with two equivalent O(3)Ba4Ru2 octahedra, faces with two equivalent O(3)Ba4Ru2 octahedra, and faces with four equivalent O(1)Ba4TaRu octahedra. The corner-sharing octahedral tilt angles range from 4-64°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), and one Ta(1) atom. In the third O site, O(3) is bonded to one Ba(1), three equivalent Ba(3), one Ru(1), and one Ru(2) atom to form distorted OBa4Ru2 octahedra that share corners with eight equivalent O(1)Ba4TaRu octahedra, corners with eleven equivalent O(3)Ba4Ru2 octahedra, edges with two equivalent O(3)Ba4Ru2 octahedra, edges with two equivalent O(1)Ba4TaRu octahedra, faces with two equivalent O(1)Ba4TaRu octahedra, and faces with six equivalent O(3)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. Br(1) is bonded to one Ba(4) and four equivalent Ba(2) atoms to form distorted BrBa5 trigonal bipyramids that share corners with three equivalent O(1)Ba4TaRu octahedra, corners with six equivalent Br(1)Ba5 trigonal bipyramids, and edges with three equivalent Br(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8Ta2Ru3(BrO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.939
_cell_length_b   5.939
_cell_length_c   20.181
_cell_angle_alpha   81.538
_cell_angle_beta   98.462
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   607.538
_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  0.559  0.441  0.678  1.0
  Ba  Ba1  1  0.441  0.559  0.322  1.0
  Ba  Ba2  1  0.631  0.369  0.893  1.0
  Ba  Ba3  1  0.369  0.631  0.107  1.0
  Ba  Ba4  1  0.812  0.188  0.435  1.0
  Ba  Ba5  1  0.188  0.812  0.565  1.0
  Ba  Ba6  1  0.742  0.258  0.225  1.0
  Ba  Ba7  1  0.258  0.742  0.775  1.0
  Ta  Ta8  1  0.919  0.081  0.756  1.0
  Ta  Ta9  1  0.081  0.919  0.244  1.0
  Ru  Ru10  1  0.500  0.500  0.500  1.0
  Ru  Ru11  1  0.871  0.129  0.612  1.0
  Ru  Ru12  1  0.129  0.871  0.388  1.0
  Br  Br13  1  0.687  0.313  0.061  1.0
  Br  Br14  1  0.313  0.687  0.939  1.0
  O  O15  1  0.957  0.043  0.321  1.0
  O  O16  1  0.406  0.043  0.321  1.0
  O  O17  1  0.957  0.594  0.321  1.0
  O  O18  1  0.043  0.957  0.679  1.0
  O  O19  1  0.594  0.957  0.679  1.0
  O  O20  1  0.043  0.406  0.679  1.0
  O  O21  1  0.230  0.770  0.200  1.0
  O  O22  1  0.741  0.770  0.200  1.0
  O  O23  1  0.230  0.259  0.200  1.0
  O  O24  1  0.770  0.230  0.800  1.0
  O  O25  1  0.259  0.230  0.800  1.0
  O  O26  1  0.770  0.741  0.800  1.0
  O  O27  1  0.683  0.317  0.558  1.0
  O  O28  1  0.191  0.317  0.558  1.0
  O  O29  1  0.683  0.809  0.558  1.0
  O  O30  1  0.317  0.683  0.442  1.0
  O  O31  1  0.809  0.683  0.442  1.0
  O  O32  1  0.317  0.191  0.442  1.0
[/CIF]
.
The crystal structure described by Ba8Ta2Ru3(O9Br)2 crystallizes in the trigonal R-3m space group. There are four 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(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent Br(1) atoms. In the third Ba site, Ba(3) 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(3)O12 cuboctahedra, corners with three equivalent Ta(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Br(1) atom. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Ru(2)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 3°. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Ta(1), and one Ru(2) atom to form distorted OBa4TaRu octahedra that share corners with six equivalent O(1)Ba4TaRu octahedra, corners with eight equivalent O(3)Ba4Ru2 octahedra,  a cornercorner with one Br(1)Ba5 trigonal bipyramid, edges with two equivalent O(3)Ba4Ru2 octahedra, faces with two equivalent O(3)Ba4Ru2 octahedra, and faces with four equivalent O(1)Ba4TaRu octahedra. The corner-sharing octahedral tilt angles range from 4-64°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), and one Ta(1) atom. In the third O site, O(3) is bonded to one Ba(1), three equivalent Ba(3), one Ru(1), and one Ru(2) atom to form distorted OBa4Ru2 octahedra that share corners with eight equivalent O(1)Ba4TaRu octahedra, corners with eleven equivalent O(3)Ba4Ru2 octahedra, edges with two equivalent O(3)Ba4Ru2 octahedra, edges with two equivalent O(1)Ba4TaRu octahedra, faces with two equivalent O(1)Ba4TaRu octahedra, and faces with six equivalent O(3)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. Br(1) is bonded to one Ba(4) and four equivalent Ba(2) atoms to form distorted BrBa5 trigonal bipyramids that share corners with three equivalent O(1)Ba4TaRu octahedra, corners with six equivalent Br(1)Ba5 trigonal bipyramids, and edges with three equivalent Br(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8Ta2Ru3(BrO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.939
_cell_length_b   5.939
_cell_length_c   20.181
_cell_angle_alpha   81.538
_cell_angle_beta   98.462
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   607.538
_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  0.559  0.441  0.678  1.0
  Ba  Ba1  1  0.441  0.559  0.322  1.0
  Ba  Ba2  1  0.631  0.369  0.893  1.0
  Ba  Ba3  1  0.369  0.631  0.107  1.0
  Ba  Ba4  1  0.812  0.188  0.435  1.0
  Ba  Ba5  1  0.188  0.812  0.565  1.0
  Ba  Ba6  1  0.742  0.258  0.225  1.0
  Ba  Ba7  1  0.258  0.742  0.775  1.0
  Ta  Ta8  1  0.919  0.081  0.756  1.0
  Ta  Ta9  1  0.081  0.919  0.244  1.0
  Ru  Ru10  1  0.500  0.500  0.500  1.0
  Ru  Ru11  1  0.871  0.129  0.612  1.0
  Ru  Ru12  1  0.129  0.871  0.388  1.0
  Br  Br13  1  0.687  0.313  0.061  1.0
  Br  Br14  1  0.313  0.687  0.939  1.0
  O  O15  1  0.957  0.043  0.321  1.0
  O  O16  1  0.406  0.043  0.321  1.0
  O  O17  1  0.957  0.594  0.321  1.0
  O  O18  1  0.043  0.957  0.679  1.0
  O  O19  1  0.594  0.957  0.679  1.0
  O  O20  1  0.043  0.406  0.679  1.0
  O  O21  1  0.230  0.770  0.200  1.0
  O  O22  1  0.741  0.770  0.200  1.0
  O  O23  1  0.230  0.259  0.200  1.0
  O  O24  1  0.770  0.230  0.800  1.0
  O  O25  1  0.259  0.230  0.800  1.0
  O  O26  1  0.770  0.741  0.800  1.0
  O  O27  1  0.683  0.317  0.558  1.0
  O  O28  1  0.191  0.317  0.558  1.0
  O  O29  1  0.683  0.809  0.558  1.0
  O  O30  1  0.317  0.683  0.442  1.0
  O  O31  1  0.809  0.683  0.442  1.0
  O  O32  1  0.317  0.191  0.442  1.0
[/CIF]
.