The material structure described by Li3Co2O5 is Caswellsilverite-like 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 three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to six equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with six equivalent Li(3)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth Li site, Li(4) is bonded to six equivalent O(2) atoms to form a mixture of edge and corner-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Co site, Co(2) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(2)Li6 octahedra, edges with three equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(2)Li6 octahedra, and edges with six equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Li(4) atoms to form OLi6 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li6 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, and edges with nine equivalent O(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to three equivalent Li(2) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to three equivalent Li(3) and three equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to three equivalent Li(2) and three equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.908
_cell_length_b   2.908
_cell_length_c   24.821
_cell_angle_alpha   86.766
_cell_angle_beta   86.766
_cell_angle_gamma   59.375
_symmetry_Int_Tables_number   1
_cell_volume   180.213
_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  0.693  0.693  0.901  1.0
  Li  Li1  1  0.307  0.307  0.099  1.0
  Li  Li2  1  0.905  0.905  0.302  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.095  0.095  0.698  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.402  0.402  0.798  1.0
  Co  Co7  1  0.598  0.598  0.202  1.0
  Co  Co8  1  0.202  0.202  0.399  1.0
  Co  Co9  1  0.798  0.798  0.601  1.0
  O  O10  1  0.068  0.068  0.839  1.0
  O  O11  1  0.651  0.651  0.054  1.0
  O  O12  1  0.263  0.263  0.245  1.0
  O  O13  1  0.852  0.852  0.446  1.0
  O  O14  1  0.446  0.446  0.648  1.0
  O  O15  1  0.349  0.349  0.946  1.0
  O  O16  1  0.932  0.932  0.161  1.0
  O  O17  1  0.554  0.554  0.352  1.0
  O  O18  1  0.148  0.148  0.554  1.0
  O  O19  1  0.737  0.737  0.755  1.0
[/CIF]
.
The material structure described by Li3Co2O5 is Caswellsilverite-like 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 three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to six equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with six equivalent Li(3)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth Li site, Li(4) is bonded to six equivalent O(2) atoms to form a mixture of edge and corner-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Co site, Co(2) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(2)Li6 octahedra, edges with three equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(2)Li6 octahedra, and edges with six equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Li(4) atoms to form OLi6 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li6 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, and edges with nine equivalent O(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to three equivalent Li(2) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to three equivalent Li(3) and three equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to three equivalent Li(2) and three equivalent Co(2) atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.908
_cell_length_b   2.908
_cell_length_c   24.821
_cell_angle_alpha   86.766
_cell_angle_beta   86.766
_cell_angle_gamma   59.375
_symmetry_Int_Tables_number   1
_cell_volume   180.213
_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  0.693  0.693  0.901  1.0
  Li  Li1  1  0.307  0.307  0.099  1.0
  Li  Li2  1  0.905  0.905  0.302  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.095  0.095  0.698  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.402  0.402  0.798  1.0
  Co  Co7  1  0.598  0.598  0.202  1.0
  Co  Co8  1  0.202  0.202  0.399  1.0
  Co  Co9  1  0.798  0.798  0.601  1.0
  O  O10  1  0.068  0.068  0.839  1.0
  O  O11  1  0.651  0.651  0.054  1.0
  O  O12  1  0.263  0.263  0.245  1.0
  O  O13  1  0.852  0.852  0.446  1.0
  O  O14  1  0.446  0.446  0.648  1.0
  O  O15  1  0.349  0.349  0.946  1.0
  O  O16  1  0.932  0.932  0.161  1.0
  O  O17  1  0.554  0.554  0.352  1.0
  O  O18  1  0.148  0.148  0.554  1.0
  O  O19  1  0.737  0.737  0.755  1.0
[/CIF]
.