The material described by BaRuO5 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ru(1)O5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ru(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO5 trigonal bipyramids that share edges with two equivalent Ba(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Ru(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaRuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.363
_cell_length_b   10.363
_cell_length_c   10.363
_cell_angle_alpha   55.319
_cell_angle_beta   55.319
_cell_angle_gamma   55.319
_symmetry_Int_Tables_number   1
_cell_volume   701.344
_cell_formula_units_Z   6
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  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.836  0.836  0.836  1.0
  Ba  Ba3  1  0.336  0.336  0.336  1.0
  Ba  Ba4  1  0.164  0.164  0.164  1.0
  Ba  Ba5  1  0.664  0.664  0.664  1.0
  Ru  Ru6  1  0.396  0.104  0.750  1.0
  Ru  Ru7  1  0.750  0.396  0.104  1.0
  Ru  Ru8  1  0.104  0.750  0.396  1.0
  Ru  Ru9  1  0.250  0.604  0.896  1.0
  Ru  Ru10  1  0.896  0.250  0.604  1.0
  Ru  Ru11  1  0.604  0.896  0.250  1.0
  O  O12  1  0.579  0.921  0.750  1.0
  O  O13  1  0.750  0.579  0.921  1.0
  O  O14  1  0.921  0.750  0.579  1.0
  O  O15  1  0.250  0.421  0.079  1.0
  O  O16  1  0.079  0.250  0.421  1.0
  O  O17  1  0.421  0.079  0.250  1.0
  O  O18  1  0.366  0.248  0.813  1.0
  O  O19  1  0.813  0.366  0.248  1.0
  O  O20  1  0.248  0.813  0.366  1.0
  O  O21  1  0.313  0.748  0.866  1.0
  O  O22  1  0.866  0.313  0.748  1.0
  O  O23  1  0.748  0.866  0.313  1.0
  O  O24  1  0.634  0.752  0.187  1.0
  O  O25  1  0.187  0.634  0.752  1.0
  O  O26  1  0.752  0.187  0.634  1.0
  O  O27  1  0.687  0.252  0.134  1.0
  O  O28  1  0.134  0.687  0.252  1.0
  O  O29  1  0.252  0.134  0.687  1.0
  O  O30  1  0.285  0.998  0.965  1.0
  O  O31  1  0.965  0.285  0.998  1.0
  O  O32  1  0.998  0.965  0.285  1.0
  O  O33  1  0.465  0.498  0.785  1.0
  O  O34  1  0.785  0.465  0.498  1.0
  O  O35  1  0.498  0.785  0.465  1.0
  O  O36  1  0.715  0.002  0.035  1.0
  O  O37  1  0.035  0.715  0.002  1.0
  O  O38  1  0.002  0.035  0.715  1.0
  O  O39  1  0.535  0.502  0.215  1.0
  O  O40  1  0.215  0.535  0.502  1.0
  O  O41  1  0.502  0.215  0.535  1.0
[/CIF]
.
The material described by BaRuO5 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ru(1)O5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ru(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO5 trigonal bipyramids that share edges with two equivalent Ba(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Ru(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaRuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.363
_cell_length_b   10.363
_cell_length_c   10.363
_cell_angle_alpha   55.319
_cell_angle_beta   55.319
_cell_angle_gamma   55.319
_symmetry_Int_Tables_number   1
_cell_volume   701.344
_cell_formula_units_Z   6
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  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.836  0.836  0.836  1.0
  Ba  Ba3  1  0.336  0.336  0.336  1.0
  Ba  Ba4  1  0.164  0.164  0.164  1.0
  Ba  Ba5  1  0.664  0.664  0.664  1.0
  Ru  Ru6  1  0.396  0.104  0.750  1.0
  Ru  Ru7  1  0.750  0.396  0.104  1.0
  Ru  Ru8  1  0.104  0.750  0.396  1.0
  Ru  Ru9  1  0.250  0.604  0.896  1.0
  Ru  Ru10  1  0.896  0.250  0.604  1.0
  Ru  Ru11  1  0.604  0.896  0.250  1.0
  O  O12  1  0.579  0.921  0.750  1.0
  O  O13  1  0.750  0.579  0.921  1.0
  O  O14  1  0.921  0.750  0.579  1.0
  O  O15  1  0.250  0.421  0.079  1.0
  O  O16  1  0.079  0.250  0.421  1.0
  O  O17  1  0.421  0.079  0.250  1.0
  O  O18  1  0.366  0.248  0.813  1.0
  O  O19  1  0.813  0.366  0.248  1.0
  O  O20  1  0.248  0.813  0.366  1.0
  O  O21  1  0.313  0.748  0.866  1.0
  O  O22  1  0.866  0.313  0.748  1.0
  O  O23  1  0.748  0.866  0.313  1.0
  O  O24  1  0.634  0.752  0.187  1.0
  O  O25  1  0.187  0.634  0.752  1.0
  O  O26  1  0.752  0.187  0.634  1.0
  O  O27  1  0.687  0.252  0.134  1.0
  O  O28  1  0.134  0.687  0.252  1.0
  O  O29  1  0.252  0.134  0.687  1.0
  O  O30  1  0.285  0.998  0.965  1.0
  O  O31  1  0.965  0.285  0.998  1.0
  O  O32  1  0.998  0.965  0.285  1.0
  O  O33  1  0.465  0.498  0.785  1.0
  O  O34  1  0.785  0.465  0.498  1.0
  O  O35  1  0.498  0.785  0.465  1.0
  O  O36  1  0.715  0.002  0.035  1.0
  O  O37  1  0.035  0.715  0.002  1.0
  O  O38  1  0.002  0.035  0.715  1.0
  O  O39  1  0.535  0.502  0.215  1.0
  O  O40  1  0.215  0.535  0.502  1.0
  O  O41  1  0.502  0.215  0.535  1.0
[/CIF]
.