The structure described by NaLi2(RuO2)6 crystallizes in the trigonal P-3 space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Li(1) is bonded to six equivalent O(1) atoms to form distorted LiO6 pentagonal pyramids that share corners with twelve equivalent Ru(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and faces with two equivalent Li(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 33-68°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra, corners with four equivalent Li(1)O6 pentagonal pyramids, edges with four equivalent Ru(1)O6 octahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and three equivalent Ru(1) atoms to form distorted OLi2Ru3 trigonal bipyramids that share corners with four equivalent O(1)Li2Ru3 trigonal bipyramids, corners with seven equivalent O(2)NaRu3 trigonal pyramids, edges with six equivalent O(1)Li2Ru3 trigonal bipyramids, and  an edgeedge with one O(2)NaRu3 trigonal pyramid. In the second O site, O(2) is bonded to one Na(1) and three equivalent Ru(1) atoms to form distorted ONaRu3 trigonal pyramids that share corners with seven equivalent O(1)Li2Ru3 trigonal bipyramids, corners with seven equivalent O(2)NaRu3 trigonal pyramids,  an edgeedge with one O(1)Li2Ru3 trigonal bipyramid, and edges with two equivalent O(2)NaRu3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi2(RuO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.573
_cell_length_b   9.573
_cell_length_c   2.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   219.422
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.667  0.333  0.749  1.0
  Li  Li2  1  0.333  0.667  0.251  1.0
  Ru  Ru3  1  0.358  0.342  0.750  1.0
  Ru  Ru4  1  0.658  0.016  0.750  1.0
  Ru  Ru5  1  0.342  0.984  0.250  1.0
  Ru  Ru6  1  0.984  0.642  0.750  1.0
  Ru  Ru7  1  0.016  0.358  0.250  1.0
  Ru  Ru8  1  0.642  0.658  0.250  1.0
  O  O9  1  0.544  0.411  0.251  1.0
  O  O10  1  0.411  0.867  0.749  1.0
  O  O11  1  0.456  0.589  0.749  1.0
  O  O12  1  0.133  0.544  0.749  1.0
  O  O13  1  0.867  0.456  0.251  1.0
  O  O14  1  0.106  0.812  0.251  1.0
  O  O15  1  0.294  0.106  0.749  1.0
  O  O16  1  0.589  0.133  0.251  1.0
  O  O17  1  0.188  0.294  0.251  1.0
  O  O18  1  0.894  0.188  0.749  1.0
  O  O19  1  0.812  0.706  0.749  1.0
  O  O20  1  0.706  0.894  0.251  1.0
[/CIF]
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The structure described by NaLi2(RuO2)6 crystallizes in the trigonal P-3 space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Li(1) is bonded to six equivalent O(1) atoms to form distorted LiO6 pentagonal pyramids that share corners with twelve equivalent Ru(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and faces with two equivalent Li(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 33-68°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra, corners with four equivalent Li(1)O6 pentagonal pyramids, edges with four equivalent Ru(1)O6 octahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and three equivalent Ru(1) atoms to form distorted OLi2Ru3 trigonal bipyramids that share corners with four equivalent O(1)Li2Ru3 trigonal bipyramids, corners with seven equivalent O(2)NaRu3 trigonal pyramids, edges with six equivalent O(1)Li2Ru3 trigonal bipyramids, and  an edgeedge with one O(2)NaRu3 trigonal pyramid. In the second O site, O(2) is bonded to one Na(1) and three equivalent Ru(1) atoms to form distorted ONaRu3 trigonal pyramids that share corners with seven equivalent O(1)Li2Ru3 trigonal bipyramids, corners with seven equivalent O(2)NaRu3 trigonal pyramids,  an edgeedge with one O(1)Li2Ru3 trigonal bipyramid, and edges with two equivalent O(2)NaRu3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi2(RuO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.573
_cell_length_b   9.573
_cell_length_c   2.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   219.422
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.667  0.333  0.749  1.0
  Li  Li2  1  0.333  0.667  0.251  1.0
  Ru  Ru3  1  0.358  0.342  0.750  1.0
  Ru  Ru4  1  0.658  0.016  0.750  1.0
  Ru  Ru5  1  0.342  0.984  0.250  1.0
  Ru  Ru6  1  0.984  0.642  0.750  1.0
  Ru  Ru7  1  0.016  0.358  0.250  1.0
  Ru  Ru8  1  0.642  0.658  0.250  1.0
  O  O9  1  0.544  0.411  0.251  1.0
  O  O10  1  0.411  0.867  0.749  1.0
  O  O11  1  0.456  0.589  0.749  1.0
  O  O12  1  0.133  0.544  0.749  1.0
  O  O13  1  0.867  0.456  0.251  1.0
  O  O14  1  0.106  0.812  0.251  1.0
  O  O15  1  0.294  0.106  0.749  1.0
  O  O16  1  0.589  0.133  0.251  1.0
  O  O17  1  0.188  0.294  0.251  1.0
  O  O18  1  0.894  0.188  0.749  1.0
  O  O19  1  0.812  0.706  0.749  1.0
  O  O20  1  0.706  0.894  0.251  1.0
[/CIF]
.