The compound described by Li(FeO2)8 crystallizes in the monoclinic P2 space group. Li(1) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-49°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Fe site, Fe(3) is bonded to one O(5), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Fe site, Fe(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Fe(4) atoms to form distorted corner-sharing OLiFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Fe(4), and two equivalent Fe(1) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li(FeO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.957
_cell_length_b   10.448
_cell_length_c   10.364
_cell_angle_alpha   89.839
_cell_angle_beta   90.003
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   320.197
_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  0.226  0.974  0.503  1.0
  Fe  Fe1  1  0.990  0.137  0.332  1.0
  Fe  Fe2  1  0.003  0.642  0.147  1.0
  Fe  Fe3  1  0.498  0.616  0.836  1.0
  Fe  Fe4  1  0.510  0.143  0.667  1.0
  Fe  Fe5  1  0.991  0.812  0.675  1.0
  Fe  Fe6  1  0.002  0.307  0.860  1.0
  Fe  Fe7  1  0.498  0.333  0.171  1.0
  Fe  Fe8  1  0.510  0.806  0.340  1.0
  O  O9  1  0.996  0.330  0.293  1.0
  O  O10  1  0.999  0.320  0.050  1.0
  O  O11  1  0.007  0.687  0.339  1.0
  O  O12  1  0.005  0.934  0.338  1.0
  O  O13  1  0.494  0.808  0.794  1.0
  O  O14  1  0.496  0.815  0.545  1.0
  O  O15  1  0.504  0.186  0.860  1.0
  O  O16  1  0.501  0.427  0.844  1.0
  O  O17  1  0.996  0.619  0.714  1.0
  O  O18  1  0.999  0.629  0.957  1.0
  O  O19  1  0.007  0.262  0.667  1.0
  O  O20  1  0.005  0.015  0.669  1.0
  O  O21  1  0.493  0.141  0.212  1.0
  O  O22  1  0.495  0.134  0.462  1.0
  O  O23  1  0.504  0.762  0.147  1.0
  O  O24  1  0.501  0.522  0.163  1.0
[/CIF]
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The compound described by Li(FeO2)8 crystallizes in the monoclinic P2 space group. Li(1) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-49°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Fe site, Fe(3) is bonded to one O(5), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Fe site, Fe(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Fe(4) atoms to form distorted corner-sharing OLiFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Fe(4), and two equivalent Fe(1) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li(FeO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.957
_cell_length_b   10.448
_cell_length_c   10.364
_cell_angle_alpha   89.839
_cell_angle_beta   90.003
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   320.197
_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  0.226  0.974  0.503  1.0
  Fe  Fe1  1  0.990  0.137  0.332  1.0
  Fe  Fe2  1  0.003  0.642  0.147  1.0
  Fe  Fe3  1  0.498  0.616  0.836  1.0
  Fe  Fe4  1  0.510  0.143  0.667  1.0
  Fe  Fe5  1  0.991  0.812  0.675  1.0
  Fe  Fe6  1  0.002  0.307  0.860  1.0
  Fe  Fe7  1  0.498  0.333  0.171  1.0
  Fe  Fe8  1  0.510  0.806  0.340  1.0
  O  O9  1  0.996  0.330  0.293  1.0
  O  O10  1  0.999  0.320  0.050  1.0
  O  O11  1  0.007  0.687  0.339  1.0
  O  O12  1  0.005  0.934  0.338  1.0
  O  O13  1  0.494  0.808  0.794  1.0
  O  O14  1  0.496  0.815  0.545  1.0
  O  O15  1  0.504  0.186  0.860  1.0
  O  O16  1  0.501  0.427  0.844  1.0
  O  O17  1  0.996  0.619  0.714  1.0
  O  O18  1  0.999  0.629  0.957  1.0
  O  O19  1  0.007  0.262  0.667  1.0
  O  O20  1  0.005  0.015  0.669  1.0
  O  O21  1  0.493  0.141  0.212  1.0
  O  O22  1  0.495  0.134  0.462  1.0
  O  O23  1  0.504  0.762  0.147  1.0
  O  O24  1  0.501  0.522  0.163  1.0
[/CIF]
.