The crystal structure described by LiBaRu5O11 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with six equivalent Ru(1)O6 octahedra, corners with six equivalent Ru(2)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-56°. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent Ru(1)O6 octahedra, edges with three equivalent Li(1)O5 trigonal bipyramids, and faces with six equivalent Ru(2)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with four equivalent Ru(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Ru(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ba(1), and two equivalent Ru(2) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ru(2), and two equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLiRu5O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   14.016
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   422.324
_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  0.333  0.667  0.750  1.0
  Ba  Ba1  1  0.667  0.333  0.250  1.0
  Li  Li2  1  0.333  0.667  0.250  1.0
  Li  Li3  1  0.667  0.333  0.750  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  Ru  Ru5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.500  0.000  0.500  1.0
  Ru  Ru7  1  0.500  0.500  0.000  1.0
  Ru  Ru8  1  0.000  0.500  0.500  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  Ru  Ru10  1  0.000  0.000  0.158  1.0
  Ru  Ru11  1  0.000  0.000  0.842  1.0
  Ru  Ru12  1  0.000  0.000  0.658  1.0
  Ru  Ru13  1  0.000  0.000  0.342  1.0
  O  O14  1  0.150  0.299  0.250  1.0
  O  O15  1  0.850  0.701  0.750  1.0
  O  O16  1  0.701  0.850  0.250  1.0
  O  O17  1  0.299  0.150  0.750  1.0
  O  O18  1  0.150  0.850  0.250  1.0
  O  O19  1  0.850  0.150  0.750  1.0
  O  O20  1  0.168  0.336  0.580  1.0
  O  O21  1  0.832  0.664  0.420  1.0
  O  O22  1  0.664  0.832  0.580  1.0
  O  O23  1  0.832  0.664  0.080  1.0
  O  O24  1  0.336  0.168  0.420  1.0
  O  O25  1  0.168  0.336  0.920  1.0
  O  O26  1  0.168  0.832  0.580  1.0
  O  O27  1  0.336  0.168  0.080  1.0
  O  O28  1  0.832  0.168  0.420  1.0
  O  O29  1  0.664  0.832  0.920  1.0
  O  O30  1  0.832  0.168  0.080  1.0
  O  O31  1  0.168  0.832  0.920  1.0
  O  O32  1  0.333  0.667  0.082  1.0
  O  O33  1  0.667  0.333  0.918  1.0
  O  O34  1  0.667  0.333  0.582  1.0
  O  O35  1  0.333  0.667  0.418  1.0
[/CIF]
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The crystal structure described by LiBaRu5O11 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with six equivalent Ru(1)O6 octahedra, corners with six equivalent Ru(2)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-56°. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent Ru(1)O6 octahedra, edges with three equivalent Li(1)O5 trigonal bipyramids, and faces with six equivalent Ru(2)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with four equivalent Ru(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Ru(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ba(1), and two equivalent Ru(2) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ru(2), and two equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLiRu5O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   14.016
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   422.324
_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  0.333  0.667  0.750  1.0
  Ba  Ba1  1  0.667  0.333  0.250  1.0
  Li  Li2  1  0.333  0.667  0.250  1.0
  Li  Li3  1  0.667  0.333  0.750  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  Ru  Ru5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.500  0.000  0.500  1.0
  Ru  Ru7  1  0.500  0.500  0.000  1.0
  Ru  Ru8  1  0.000  0.500  0.500  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  Ru  Ru10  1  0.000  0.000  0.158  1.0
  Ru  Ru11  1  0.000  0.000  0.842  1.0
  Ru  Ru12  1  0.000  0.000  0.658  1.0
  Ru  Ru13  1  0.000  0.000  0.342  1.0
  O  O14  1  0.150  0.299  0.250  1.0
  O  O15  1  0.850  0.701  0.750  1.0
  O  O16  1  0.701  0.850  0.250  1.0
  O  O17  1  0.299  0.150  0.750  1.0
  O  O18  1  0.150  0.850  0.250  1.0
  O  O19  1  0.850  0.150  0.750  1.0
  O  O20  1  0.168  0.336  0.580  1.0
  O  O21  1  0.832  0.664  0.420  1.0
  O  O22  1  0.664  0.832  0.580  1.0
  O  O23  1  0.832  0.664  0.080  1.0
  O  O24  1  0.336  0.168  0.420  1.0
  O  O25  1  0.168  0.336  0.920  1.0
  O  O26  1  0.168  0.832  0.580  1.0
  O  O27  1  0.336  0.168  0.080  1.0
  O  O28  1  0.832  0.168  0.420  1.0
  O  O29  1  0.664  0.832  0.920  1.0
  O  O30  1  0.832  0.168  0.080  1.0
  O  O31  1  0.168  0.832  0.920  1.0
  O  O32  1  0.333  0.667  0.082  1.0
  O  O33  1  0.667  0.333  0.918  1.0
  O  O34  1  0.667  0.333  0.582  1.0
  O  O35  1  0.333  0.667  0.418  1.0
[/CIF]
.