The material described by Li7RuO6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-49°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-51°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-57°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-58°. Ru(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form RuO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Ru(1) atom to form distorted OLi5Ru pentagonal pyramids that share  a cornercorner with one O(5)Li5Ru octahedra,  a cornercorner with one O(6)Li6Ru pentagonal bipyramid, edges with two equivalent O(5)Li5Ru octahedra, and edges with two equivalent O(6)Li6Ru pentagonal bipyramids. The corner-sharing octahedral tilt angles are 77°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Li(7), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(7), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Ru(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Li(7), and one Ru(1) atom to form distorted OLi5Ru octahedra that share  a cornercorner with one O(6)Li6Ru pentagonal bipyramid,  a cornercorner with one O(1)Li5Ru pentagonal pyramid, edges with two equivalent O(6)Li6Ru pentagonal bipyramids, and edges with two equivalent O(1)Li5Ru pentagonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Li(6), one Li(7), and one Ru(1) atom to form a mixture of distorted edge and corner-sharing OLi6Ru pentagonal bipyramids. The corner-sharing octahedral tilt angles are 19°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   5.334
_cell_length_c   5.855
_cell_angle_alpha   117.233
_cell_angle_beta   91.260
_cell_angle_gamma   119.309
_symmetry_Int_Tables_number   1
_cell_volume   120.769
_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
  Li  Li0  1  0.237  0.768  0.626  1.0
  Li  Li1  1  0.300  0.682  0.041  1.0
  Li  Li2  1  0.492  0.585  0.345  1.0
  Li  Li3  1  0.479  0.376  0.632  1.0
  Li  Li4  1  0.705  0.364  0.998  1.0
  Li  Li5  1  0.763  0.257  0.361  1.0
  Li  Li6  1  0.916  0.110  0.618  1.0
  Ru  Ru7  1  0.998  0.995  0.004  1.0
  O  O8  1  0.077  0.450  0.231  1.0
  O  O9  1  0.249  0.168  0.801  1.0
  O  O10  1  0.626  0.844  0.744  1.0
  O  O11  1  0.378  0.146  0.238  1.0
  O  O12  1  0.755  0.852  0.222  1.0
  O  O13  1  0.918  0.528  0.761  1.0
[/CIF]
.
The material described by Li7RuO6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-49°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-51°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-57°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ru(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-58°. Ru(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form RuO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Ru(1) atom to form distorted OLi5Ru pentagonal pyramids that share  a cornercorner with one O(5)Li5Ru octahedra,  a cornercorner with one O(6)Li6Ru pentagonal bipyramid, edges with two equivalent O(5)Li5Ru octahedra, and edges with two equivalent O(6)Li6Ru pentagonal bipyramids. The corner-sharing octahedral tilt angles are 77°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Li(7), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(7), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Ru(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Li(7), and one Ru(1) atom to form distorted OLi5Ru octahedra that share  a cornercorner with one O(6)Li6Ru pentagonal bipyramid,  a cornercorner with one O(1)Li5Ru pentagonal pyramid, edges with two equivalent O(6)Li6Ru pentagonal bipyramids, and edges with two equivalent O(1)Li5Ru pentagonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Li(6), one Li(7), and one Ru(1) atom to form a mixture of distorted edge and corner-sharing OLi6Ru pentagonal bipyramids. The corner-sharing octahedral tilt angles are 19°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   5.334
_cell_length_c   5.855
_cell_angle_alpha   117.233
_cell_angle_beta   91.260
_cell_angle_gamma   119.309
_symmetry_Int_Tables_number   1
_cell_volume   120.769
_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
  Li  Li0  1  0.237  0.768  0.626  1.0
  Li  Li1  1  0.300  0.682  0.041  1.0
  Li  Li2  1  0.492  0.585  0.345  1.0
  Li  Li3  1  0.479  0.376  0.632  1.0
  Li  Li4  1  0.705  0.364  0.998  1.0
  Li  Li5  1  0.763  0.257  0.361  1.0
  Li  Li6  1  0.916  0.110  0.618  1.0
  Ru  Ru7  1  0.998  0.995  0.004  1.0
  O  O8  1  0.077  0.450  0.231  1.0
  O  O9  1  0.249  0.168  0.801  1.0
  O  O10  1  0.626  0.844  0.744  1.0
  O  O11  1  0.378  0.146  0.238  1.0
  O  O12  1  0.755  0.852  0.222  1.0
  O  O13  1  0.918  0.528  0.761  1.0
[/CIF]
.