The structure described by Li5(FeO2)4 crystallizes in the trigonal R3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. In the third Li site, Li(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form LiO6 octahedra that share edges with six equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(3)O6 octahedra and edges with four equivalent Fe(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to three equivalent Li(1) and three equivalent Fe(2) atoms to form edge-sharing OLi3Fe3 octahedra. In the second O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and three equivalent Fe(2) atoms. In the third O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and two equivalent Fe(2) atoms. In the fourth O site, O(3) is bonded to one Li(3), two equivalent Li(1), one Fe(1), and two equivalent Fe(2) atoms to form edge-sharing OLi3Fe3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.996
_cell_length_c   5.996
_cell_angle_alpha   59.258
_cell_angle_beta   59.258
_cell_angle_gamma   59.258
_symmetry_Int_Tables_number   1
_cell_volume   149.871
_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  0.964  0.549  0.964  1.0
  Li  Li1  1  0.549  0.964  0.964  1.0
  Li  Li2  1  0.129  0.129  0.129  1.0
  Li  Li3  1  0.964  0.964  0.549  1.0
  Li  Li4  1  0.492  0.492  0.492  1.0
  Fe  Fe5  1  0.978  0.978  0.978  1.0
  Fe  Fe6  1  0.490  0.490  0.992  1.0
  Fe  Fe7  1  0.490  0.992  0.490  1.0
  Fe  Fe8  1  0.992  0.490  0.490  1.0
  O  O9  1  0.249  0.249  0.249  1.0
  O  O10  1  0.743  0.230  0.230  1.0
  O  O11  1  0.230  0.743  0.230  1.0
  O  O12  1  0.230  0.230  0.743  1.0
  O  O13  1  0.742  0.742  0.244  1.0
  O  O14  1  0.742  0.244  0.742  1.0
  O  O15  1  0.244  0.742  0.742  1.0
  O  O16  1  0.735  0.735  0.735  1.0
[/CIF]
.
The structure described by Li5(FeO2)4 crystallizes in the trigonal R3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. In the third Li site, Li(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form LiO6 octahedra that share edges with six equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(3)O6 octahedra and edges with four equivalent Fe(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to three equivalent Li(1) and three equivalent Fe(2) atoms to form edge-sharing OLi3Fe3 octahedra. In the second O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and three equivalent Fe(2) atoms. In the third O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and two equivalent Fe(2) atoms. In the fourth O site, O(3) is bonded to one Li(3), two equivalent Li(1), one Fe(1), and two equivalent Fe(2) atoms to form edge-sharing OLi3Fe3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.996
_cell_length_c   5.996
_cell_angle_alpha   59.258
_cell_angle_beta   59.258
_cell_angle_gamma   59.258
_symmetry_Int_Tables_number   1
_cell_volume   149.871
_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  0.964  0.549  0.964  1.0
  Li  Li1  1  0.549  0.964  0.964  1.0
  Li  Li2  1  0.129  0.129  0.129  1.0
  Li  Li3  1  0.964  0.964  0.549  1.0
  Li  Li4  1  0.492  0.492  0.492  1.0
  Fe  Fe5  1  0.978  0.978  0.978  1.0
  Fe  Fe6  1  0.490  0.490  0.992  1.0
  Fe  Fe7  1  0.490  0.992  0.490  1.0
  Fe  Fe8  1  0.992  0.490  0.490  1.0
  O  O9  1  0.249  0.249  0.249  1.0
  O  O10  1  0.743  0.230  0.230  1.0
  O  O11  1  0.230  0.743  0.230  1.0
  O  O12  1  0.230  0.230  0.743  1.0
  O  O13  1  0.742  0.742  0.244  1.0
  O  O14  1  0.742  0.244  0.742  1.0
  O  O15  1  0.244  0.742  0.742  1.0
  O  O16  1  0.735  0.735  0.735  1.0
[/CIF]
.