The crystal structure described by NaLi2(RuO2)6 crystallizes in the hexagonal P-6 space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(4) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(2) atoms to form distorted LiO6 pentagonal pyramids that share corners with six equivalent Ru(1)O6 octahedra, corners with six equivalent Ru(2)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 34-67°. In the second Li site, Li(2) is bonded to six equivalent O(1) atoms to form distorted LiO6 pentagonal pyramids that share corners with six equivalent Ru(1)O6 octahedra, corners with six equivalent Ru(2)O6 octahedra, edges with three equivalent Ru(2)O6 octahedra, and faces with two equivalent Li(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 34-67°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with four equivalent Ru(2)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, corners with two equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second Ru site, Ru(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, corners with two equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and  an edgeedge with one Li(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Ru(1), and two equivalent Ru(2) atoms to form distorted OLi2Ru3 trigonal bipyramids that share corners with three equivalent O(3)NaRu3 tetrahedra, corners with four equivalent O(1)Li2Ru3 trigonal bipyramids,  an edgeedge with one O(3)NaRu3 tetrahedra, edges with two equivalent O(2)Li2Ru3 trigonal bipyramids, and edges with four equivalent O(1)Li2Ru3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Ru(2), and two equivalent Ru(1) atoms to form distorted OLi2Ru3 trigonal bipyramids that share corners with four equivalent O(3)NaRu3 tetrahedra, corners with four equivalent O(2)Li2Ru3 trigonal bipyramids, edges with two equivalent O(1)Li2Ru3 trigonal bipyramids, and edges with four equivalent O(2)Li2Ru3 trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), one Ru(1), and two equivalent Ru(2) atoms to form distorted ONaRu3 tetrahedra that share corners with four equivalent O(3)NaRu3 tetrahedra, corners with three equivalent O(1)Li2Ru3 trigonal bipyramids, corners with four equivalent O(2)Li2Ru3 trigonal bipyramids, and  an edgeedge with one O(1)Li2Ru3 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Ru(2), and two equivalent Ru(1) atoms. is represented by the CIF file [CIF]
data_NaLi2(RuO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.760
_cell_length_b   9.573
_cell_length_c   9.572
_cell_angle_alpha   120.011
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.973
_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  0.750  1.000  1.000  1.0
  Li  Li1  1  0.750  0.333  0.667  1.0
  Li  Li2  1  0.250  0.667  0.333  1.0
  Ru  Ru3  1  0.750  0.341  0.982  1.0
  Ru  Ru4  1  0.750  0.018  0.359  1.0
  Ru  Ru5  1  0.750  0.641  0.658  1.0
  Ru  Ru6  1  0.250  0.659  0.017  1.0
  Ru  Ru7  1  0.250  0.983  0.641  1.0
  Ru  Ru8  1  0.250  0.359  0.341  1.0
  O  O9  1  0.750  0.589  0.133  1.0
  O  O10  1  0.750  0.867  0.456  1.0
  O  O11  1  0.750  0.544  0.411  1.0
  O  O12  1  0.250  0.412  0.867  1.0
  O  O13  1  0.250  0.133  0.544  1.0
  O  O14  1  0.250  0.456  0.588  1.0
  O  O15  1  0.750  0.107  0.811  1.0
  O  O16  1  0.750  0.189  0.296  1.0
  O  O17  1  0.750  0.704  0.893  1.0
  O  O18  1  0.250  0.895  0.187  1.0
  O  O19  1  0.250  0.813  0.708  1.0
  O  O20  1  0.250  0.293  0.105  1.0
[/CIF]
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The crystal structure described by NaLi2(RuO2)6 crystallizes in the hexagonal P-6 space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(4) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(2) atoms to form distorted LiO6 pentagonal pyramids that share corners with six equivalent Ru(1)O6 octahedra, corners with six equivalent Ru(2)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 34-67°. In the second Li site, Li(2) is bonded to six equivalent O(1) atoms to form distorted LiO6 pentagonal pyramids that share corners with six equivalent Ru(1)O6 octahedra, corners with six equivalent Ru(2)O6 octahedra, edges with three equivalent Ru(2)O6 octahedra, and faces with two equivalent Li(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 34-67°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with four equivalent Ru(2)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, corners with two equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second Ru site, Ru(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, corners with two equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and  an edgeedge with one Li(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Ru(1), and two equivalent Ru(2) atoms to form distorted OLi2Ru3 trigonal bipyramids that share corners with three equivalent O(3)NaRu3 tetrahedra, corners with four equivalent O(1)Li2Ru3 trigonal bipyramids,  an edgeedge with one O(3)NaRu3 tetrahedra, edges with two equivalent O(2)Li2Ru3 trigonal bipyramids, and edges with four equivalent O(1)Li2Ru3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Ru(2), and two equivalent Ru(1) atoms to form distorted OLi2Ru3 trigonal bipyramids that share corners with four equivalent O(3)NaRu3 tetrahedra, corners with four equivalent O(2)Li2Ru3 trigonal bipyramids, edges with two equivalent O(1)Li2Ru3 trigonal bipyramids, and edges with four equivalent O(2)Li2Ru3 trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), one Ru(1), and two equivalent Ru(2) atoms to form distorted ONaRu3 tetrahedra that share corners with four equivalent O(3)NaRu3 tetrahedra, corners with three equivalent O(1)Li2Ru3 trigonal bipyramids, corners with four equivalent O(2)Li2Ru3 trigonal bipyramids, and  an edgeedge with one O(1)Li2Ru3 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Ru(2), and two equivalent Ru(1) atoms. is represented by the CIF file [CIF]
data_NaLi2(RuO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.760
_cell_length_b   9.573
_cell_length_c   9.572
_cell_angle_alpha   120.011
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.973
_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  0.750  1.000  1.000  1.0
  Li  Li1  1  0.750  0.333  0.667  1.0
  Li  Li2  1  0.250  0.667  0.333  1.0
  Ru  Ru3  1  0.750  0.341  0.982  1.0
  Ru  Ru4  1  0.750  0.018  0.359  1.0
  Ru  Ru5  1  0.750  0.641  0.658  1.0
  Ru  Ru6  1  0.250  0.659  0.017  1.0
  Ru  Ru7  1  0.250  0.983  0.641  1.0
  Ru  Ru8  1  0.250  0.359  0.341  1.0
  O  O9  1  0.750  0.589  0.133  1.0
  O  O10  1  0.750  0.867  0.456  1.0
  O  O11  1  0.750  0.544  0.411  1.0
  O  O12  1  0.250  0.412  0.867  1.0
  O  O13  1  0.250  0.133  0.544  1.0
  O  O14  1  0.250  0.456  0.588  1.0
  O  O15  1  0.750  0.107  0.811  1.0
  O  O16  1  0.750  0.189  0.296  1.0
  O  O17  1  0.750  0.704  0.893  1.0
  O  O18  1  0.250  0.895  0.187  1.0
  O  O19  1  0.250  0.813  0.708  1.0
  O  O20  1  0.250  0.293  0.105  1.0
[/CIF]
.