The material structure described by Li5(CoO3)2 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent Co(2) atoms. In the second O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and two equivalent Co(1) atoms. In the third O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one Co(1) atom to form OLi3Co tetrahedra that share corners with three equivalent O(2)Li3Co tetrahedra and corners with four equivalent O(3)Li4Co trigonal bipyramids. In the fourth O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with four equivalent O(2)Li3Co tetrahedra, corners with two equivalent O(3)Li4Co trigonal bipyramids, and  an edgeedge with one O(3)Li4Co trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.930
_cell_length_b   8.930
_cell_length_c   3.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.919
_symmetry_Int_Tables_number   1
_cell_volume   278.354
_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  0.103  0.373  0.500  1.0
  Li  Li1  1  0.179  0.612  0.000  1.0
  Li  Li2  1  0.171  0.171  0.000  1.0
  Li  Li3  1  0.373  0.103  0.500  1.0
  Li  Li4  1  0.388  0.821  0.000  1.0
  Li  Li5  1  0.612  0.179  0.000  1.0
  Li  Li6  1  0.627  0.897  0.500  1.0
  Li  Li7  1  0.829  0.829  0.000  1.0
  Li  Li8  1  0.821  0.388  0.000  1.0
  Li  Li9  1  0.897  0.627  0.500  1.0
  Co  Co10  1  0.115  0.885  0.500  1.0
  Co  Co11  1  0.389  0.389  0.000  1.0
  Co  Co12  1  0.611  0.611  0.000  1.0
  Co  Co13  1  0.885  0.115  0.500  1.0
  O  O14  1  0.096  0.096  0.500  1.0
  O  O15  1  0.101  0.689  0.500  1.0
  O  O16  1  0.190  0.393  0.000  1.0
  O  O17  1  0.311  0.899  0.500  1.0
  O  O18  1  0.393  0.190  0.000  1.0
  O  O19  1  0.405  0.595  0.000  1.0
  O  O20  1  0.595  0.405  0.000  1.0
  O  O21  1  0.607  0.810  0.000  1.0
  O  O22  1  0.689  0.101  0.500  1.0
  O  O23  1  0.810  0.607  0.000  1.0
  O  O24  1  0.899  0.311  0.500  1.0
  O  O25  1  0.904  0.904  0.500  1.0
[/CIF]
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The material structure described by Li5(CoO3)2 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent Co(2) atoms. In the second O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and two equivalent Co(1) atoms. In the third O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one Co(1) atom to form OLi3Co tetrahedra that share corners with three equivalent O(2)Li3Co tetrahedra and corners with four equivalent O(3)Li4Co trigonal bipyramids. In the fourth O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with four equivalent O(2)Li3Co tetrahedra, corners with two equivalent O(3)Li4Co trigonal bipyramids, and  an edgeedge with one O(3)Li4Co trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.930
_cell_length_b   8.930
_cell_length_c   3.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.919
_symmetry_Int_Tables_number   1
_cell_volume   278.354
_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  0.103  0.373  0.500  1.0
  Li  Li1  1  0.179  0.612  0.000  1.0
  Li  Li2  1  0.171  0.171  0.000  1.0
  Li  Li3  1  0.373  0.103  0.500  1.0
  Li  Li4  1  0.388  0.821  0.000  1.0
  Li  Li5  1  0.612  0.179  0.000  1.0
  Li  Li6  1  0.627  0.897  0.500  1.0
  Li  Li7  1  0.829  0.829  0.000  1.0
  Li  Li8  1  0.821  0.388  0.000  1.0
  Li  Li9  1  0.897  0.627  0.500  1.0
  Co  Co10  1  0.115  0.885  0.500  1.0
  Co  Co11  1  0.389  0.389  0.000  1.0
  Co  Co12  1  0.611  0.611  0.000  1.0
  Co  Co13  1  0.885  0.115  0.500  1.0
  O  O14  1  0.096  0.096  0.500  1.0
  O  O15  1  0.101  0.689  0.500  1.0
  O  O16  1  0.190  0.393  0.000  1.0
  O  O17  1  0.311  0.899  0.500  1.0
  O  O18  1  0.393  0.190  0.000  1.0
  O  O19  1  0.405  0.595  0.000  1.0
  O  O20  1  0.595  0.405  0.000  1.0
  O  O21  1  0.607  0.810  0.000  1.0
  O  O22  1  0.689  0.101  0.500  1.0
  O  O23  1  0.810  0.607  0.000  1.0
  O  O24  1  0.899  0.311  0.500  1.0
  O  O25  1  0.904  0.904  0.500  1.0
[/CIF]
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