The structure described by Li3RuCoO5 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four 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,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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 Co(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)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, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. 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 four equivalent Li(2)O6 octahedra,  an edgeedge with one Ru(1)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 two equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Co(1) is bonded to two equivalent O(1) and four 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,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. 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 OLi4CoRu octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with four equivalent O(1)Li4CoRu octahedra, edges with three equivalent O(1)Li4CoRu octahedra, edges with four equivalent O(2)Li4Ru2 octahedra, and edges with five equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(3), one Li(4), two equivalent Li(2), and two equivalent Ru(1) atoms to form OLi4Ru2 octahedra that share corners with two equivalent O(2)Li4Ru2 octahedra, corners with four equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(2)Li4Ru2 octahedra, and edges with eight equivalent O(1)Li4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ru(1), and two equivalent Co(1) atoms to form OLi3Co2Ru octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with two equivalent O(1)Li4CoRu octahedra, corners with two equivalent O(2)Li4Ru2 octahedra,  an edgeedge with one O(2)Li4Ru2 octahedra, edges with five equivalent O(1)Li4CoRu octahedra, and edges with six equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 1-6°. is represented by the CIF card [CIF]
data_Li3CoRuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   7.927
_cell_length_c   5.127
_cell_angle_alpha   96.197
_cell_angle_beta   70.706
_cell_angle_gamma   109.068
_symmetry_Int_Tables_number   1
_cell_volume   187.762
_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
  Li  Li0  1  0.001  0.002  0.000  1.0
  Li  Li1  1  0.602  0.203  0.000  1.0
  Li  Li2  1  0.200  0.400  0.000  1.0
  Li  Li3  1  0.798  0.597  0.000  1.0
  Li  Li4  1  0.399  0.798  0.000  1.0
  Li  Li5  1  0.700  0.400  0.500  1.0
  Co  Co6  1  0.898  0.795  0.500  1.0
  Co  Co7  1  0.502  0.005  0.500  1.0
  Ru  Ru8  1  0.301  0.602  0.500  1.0
  Ru  Ru9  1  0.099  0.198  0.500  1.0
  O  O10  1  0.860  0.196  0.271  1.0
  O  O11  1  0.428  0.400  0.267  1.0
  O  O12  1  0.064  0.604  0.271  1.0
  O  O13  1  0.633  0.790  0.266  1.0
  O  O14  1  0.243  0.010  0.266  1.0
  O  O15  1  0.540  0.604  0.729  1.0
  O  O16  1  0.157  0.790  0.734  1.0
  O  O17  1  0.767  0.010  0.734  1.0
  O  O18  1  0.336  0.196  0.729  1.0
  O  O19  1  0.972  0.400  0.733  1.0
[/CIF]
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The structure described by Li3RuCoO5 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four 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,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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 Co(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)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, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. 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 four equivalent Li(2)O6 octahedra,  an edgeedge with one Ru(1)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 two equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Co(1) is bonded to two equivalent O(1) and four 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,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. 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 OLi4CoRu octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with four equivalent O(1)Li4CoRu octahedra, edges with three equivalent O(1)Li4CoRu octahedra, edges with four equivalent O(2)Li4Ru2 octahedra, and edges with five equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(3), one Li(4), two equivalent Li(2), and two equivalent Ru(1) atoms to form OLi4Ru2 octahedra that share corners with two equivalent O(2)Li4Ru2 octahedra, corners with four equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(3)Li3Co2Ru octahedra, edges with two equivalent O(2)Li4Ru2 octahedra, and edges with eight equivalent O(1)Li4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ru(1), and two equivalent Co(1) atoms to form OLi3Co2Ru octahedra that share corners with two equivalent O(3)Li3Co2Ru octahedra, corners with two equivalent O(1)Li4CoRu octahedra, corners with two equivalent O(2)Li4Ru2 octahedra,  an edgeedge with one O(2)Li4Ru2 octahedra, edges with five equivalent O(1)Li4CoRu octahedra, and edges with six equivalent O(3)Li3Co2Ru octahedra. The corner-sharing octahedral tilt angles range from 1-6°. is represented by the CIF card [CIF]
data_Li3CoRuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   7.927
_cell_length_c   5.127
_cell_angle_alpha   96.197
_cell_angle_beta   70.706
_cell_angle_gamma   109.068
_symmetry_Int_Tables_number   1
_cell_volume   187.762
_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
  Li  Li0  1  0.001  0.002  0.000  1.0
  Li  Li1  1  0.602  0.203  0.000  1.0
  Li  Li2  1  0.200  0.400  0.000  1.0
  Li  Li3  1  0.798  0.597  0.000  1.0
  Li  Li4  1  0.399  0.798  0.000  1.0
  Li  Li5  1  0.700  0.400  0.500  1.0
  Co  Co6  1  0.898  0.795  0.500  1.0
  Co  Co7  1  0.502  0.005  0.500  1.0
  Ru  Ru8  1  0.301  0.602  0.500  1.0
  Ru  Ru9  1  0.099  0.198  0.500  1.0
  O  O10  1  0.860  0.196  0.271  1.0
  O  O11  1  0.428  0.400  0.267  1.0
  O  O12  1  0.064  0.604  0.271  1.0
  O  O13  1  0.633  0.790  0.266  1.0
  O  O14  1  0.243  0.010  0.266  1.0
  O  O15  1  0.540  0.604  0.729  1.0
  O  O16  1  0.157  0.790  0.734  1.0
  O  O17  1  0.767  0.010  0.734  1.0
  O  O18  1  0.336  0.196  0.729  1.0
  O  O19  1  0.972  0.400  0.733  1.0
[/CIF]
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