The material structure described by Li4CoRuO6 is beta Polonium-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-7°. is represented by the CIF file [CIF]
data_Li4CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   5.046
_cell_length_c   5.093
_cell_angle_alpha   80.461
_cell_angle_beta   80.461
_cell_angle_gamma   119.978
_symmetry_Int_Tables_number   1
_cell_volume   105.975
_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  0.670  0.330  0.000  1.0
  Li  Li1  1  0.339  0.661  0.000  1.0
  Li  Li2  1  0.993  0.007  0.000  1.0
  Li  Li3  1  0.833  0.167  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Ru  Ru5  1  0.166  0.834  0.500  1.0
  O  O6  1  0.559  0.888  0.269  1.0
  O  O7  1  0.265  0.247  0.274  1.0
  O  O8  1  0.905  0.594  0.272  1.0
  O  O9  1  0.406  0.095  0.728  1.0
  O  O10  1  0.112  0.441  0.731  1.0
  O  O11  1  0.753  0.735  0.726  1.0
[/CIF]
.
The material structure described by Li4CoRuO6 is beta Polonium-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ru(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-7°. is represented by the CIF file [CIF]
data_Li4CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   5.046
_cell_length_c   5.093
_cell_angle_alpha   80.461
_cell_angle_beta   80.461
_cell_angle_gamma   119.978
_symmetry_Int_Tables_number   1
_cell_volume   105.975
_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  0.670  0.330  0.000  1.0
  Li  Li1  1  0.339  0.661  0.000  1.0
  Li  Li2  1  0.993  0.007  0.000  1.0
  Li  Li3  1  0.833  0.167  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Ru  Ru5  1  0.166  0.834  0.500  1.0
  O  O6  1  0.559  0.888  0.269  1.0
  O  O7  1  0.265  0.247  0.274  1.0
  O  O8  1  0.905  0.594  0.272  1.0
  O  O9  1  0.406  0.095  0.728  1.0
  O  O10  1  0.112  0.441  0.731  1.0
  O  O11  1  0.753  0.735  0.726  1.0
[/CIF]
.