The material structure described by Li(FeO2)2 is Spinel-like structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Li site, Li(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-52°. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 55°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), and two equivalent Fe(1) atoms. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(2) is bonded to one Li(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OLiFe3 tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(3), and two equivalent Fe(1) atoms. In the fifth O site, O(4) is bonded to one Li(2), one Fe(3), and two equivalent Fe(1) atoms to form distorted corner-sharing OLiFe3 tetrahedra. In the sixth O site, O(5) is bonded to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OLiFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   9.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.122
_symmetry_Int_Tables_number   1
_cell_volume   282.764
_cell_formula_units_Z   4
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  0.169  0.831  0.106  1.0
  Li  Li1  1  0.501  0.499  0.003  1.0
  Li  Li2  1  0.499  0.501  0.503  1.0
  Li  Li3  1  0.831  0.169  0.606  1.0
  Fe  Fe4  1  0.840  0.670  0.786  1.0
  Fe  Fe5  1  0.162  0.838  0.510  1.0
  Fe  Fe6  1  0.330  0.160  0.786  1.0
  Fe  Fe7  1  0.331  0.669  0.785  1.0
  Fe  Fe8  1  0.669  0.331  0.285  1.0
  Fe  Fe9  1  0.838  0.162  0.010  1.0
  Fe  Fe10  1  0.670  0.840  0.286  1.0
  Fe  Fe11  1  0.160  0.330  0.286  1.0
  O  O12  1  0.823  0.677  0.399  1.0
  O  O13  1  0.017  0.983  0.669  1.0
  O  O14  1  0.162  0.838  0.893  1.0
  O  O15  1  0.505  0.495  0.691  1.0
  O  O16  1  0.495  0.505  0.191  1.0
  O  O17  1  0.323  0.177  0.399  1.0
  O  O18  1  0.005  0.540  0.661  1.0
  O  O19  1  0.460  0.995  0.661  1.0
  O  O20  1  0.664  0.336  0.897  1.0
  O  O21  1  0.336  0.664  0.397  1.0
  O  O22  1  0.540  0.005  0.161  1.0
  O  O23  1  0.995  0.460  0.161  1.0
  O  O24  1  0.838  0.162  0.393  1.0
  O  O25  1  0.677  0.823  0.899  1.0
  O  O26  1  0.983  0.017  0.169  1.0
  O  O27  1  0.177  0.323  0.899  1.0
[/CIF]
.
The material structure described by Li(FeO2)2 is Spinel-like structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Li site, Li(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-52°. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 55°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), and two equivalent Fe(1) atoms. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(2) is bonded to one Li(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OLiFe3 tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(3), and two equivalent Fe(1) atoms. In the fifth O site, O(4) is bonded to one Li(2), one Fe(3), and two equivalent Fe(1) atoms to form distorted corner-sharing OLiFe3 tetrahedra. In the sixth O site, O(5) is bonded to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OLiFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   9.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.122
_symmetry_Int_Tables_number   1
_cell_volume   282.764
_cell_formula_units_Z   4
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  0.169  0.831  0.106  1.0
  Li  Li1  1  0.501  0.499  0.003  1.0
  Li  Li2  1  0.499  0.501  0.503  1.0
  Li  Li3  1  0.831  0.169  0.606  1.0
  Fe  Fe4  1  0.840  0.670  0.786  1.0
  Fe  Fe5  1  0.162  0.838  0.510  1.0
  Fe  Fe6  1  0.330  0.160  0.786  1.0
  Fe  Fe7  1  0.331  0.669  0.785  1.0
  Fe  Fe8  1  0.669  0.331  0.285  1.0
  Fe  Fe9  1  0.838  0.162  0.010  1.0
  Fe  Fe10  1  0.670  0.840  0.286  1.0
  Fe  Fe11  1  0.160  0.330  0.286  1.0
  O  O12  1  0.823  0.677  0.399  1.0
  O  O13  1  0.017  0.983  0.669  1.0
  O  O14  1  0.162  0.838  0.893  1.0
  O  O15  1  0.505  0.495  0.691  1.0
  O  O16  1  0.495  0.505  0.191  1.0
  O  O17  1  0.323  0.177  0.399  1.0
  O  O18  1  0.005  0.540  0.661  1.0
  O  O19  1  0.460  0.995  0.661  1.0
  O  O20  1  0.664  0.336  0.897  1.0
  O  O21  1  0.336  0.664  0.397  1.0
  O  O22  1  0.540  0.005  0.161  1.0
  O  O23  1  0.995  0.460  0.161  1.0
  O  O24  1  0.838  0.162  0.393  1.0
  O  O25  1  0.677  0.823  0.899  1.0
  O  O26  1  0.983  0.017  0.169  1.0
  O  O27  1  0.177  0.323  0.899  1.0
[/CIF]
.