The compound described by Li8(FeO2)5 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(7), one O(9), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(9) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(9), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(6), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(10), one O(5), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(6), one O(8), and two equivalent O(10) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing LiO4 trigonal pyramids. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(6), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(7), and one O(9) atom. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(7), and one O(8) atom. In the fourth Fe site, Fe(4) is bonded in a square co-planar geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the fifth Fe site, Fe(5) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one Fe(1), and one Fe(3) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(3), one Fe(2), and one Fe(5) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(5)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid, corners with two equivalent O(3)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(4)Li4Fe2 octahedra, and edges with three equivalent O(9)Li4Fe2 octahedra. In the fourth O site, O(4) is bonded to one Li(2), one Li(8), two equivalent Li(1), one Fe(2), and one Fe(3) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(9)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe2 trigonal bipyramid, and edges with three equivalent O(7)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-41°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(4), one Fe(4), and one Fe(5) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid, corners with two equivalent O(5)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(10)Li4Fe2 octahedra, and edges with two equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(4), one Li(7), two equivalent Li(5), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(6)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 trigonal bipyramid, edges with three equivalent O(10)Li4Fe2 octahedra,  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid, and edges with two equivalent O(5)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the seventh O site, O(7) is bonded to one Li(1), two equivalent Li(8), one Fe(2), and one Fe(3) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid, corners with two equivalent O(7)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(9)Li4Fe2 octahedra, and edges with three equivalent O(4)Li4Fe2 octahedra. In the eighth O site, O(8) is bonded to one Li(7), two equivalent Li(6), one Fe(1), and one Fe(3) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(10)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid, corners with two equivalent O(8)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(6)Li4Fe2 octahedra, and edges with two equivalent O(10)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Fe(2), and one Fe(5) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li4Fe2 octahedra, corners with two equivalent O(9)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 trigonal bipyramid, edges with two equivalent O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid, and edges with three equivalent O(3)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-47°. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), two equivalent Li(7), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(10)Li4Fe2 octahedra,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid, edges with three equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 trigonal bipyramid, and edges with two equivalent O(8)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. is represented by the CIF card [CIF]
data_Li8(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.452
_cell_length_b   5.452
_cell_length_c   14.468
_cell_angle_alpha   74.470
_cell_angle_beta   74.470
_cell_angle_gamma   38.715
_symmetry_Int_Tables_number   1
_cell_volume   257.964
_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  0.786  0.786  0.535  1.0
  Li  Li1  1  0.215  0.215  0.662  1.0
  Li  Li2  1  0.776  0.776  0.756  1.0
  Li  Li3  1  0.774  0.774  0.927  1.0
  Li  Li4  1  0.215  0.215  0.052  1.0
  Li  Li5  1  0.223  0.223  0.265  1.0
  Li  Li6  1  0.787  0.787  0.147  1.0
  Li  Li7  1  0.227  0.227  0.442  1.0
  Fe  Fe8  1  0.501  0.501  0.200  1.0
  Fe  Fe9  1  0.500  0.500  0.598  1.0
  Fe  Fe10  1  0.506  0.506  0.399  1.0
  Fe  Fe11  1  0.499  0.499  0.999  1.0
  Fe  Fe12  1  0.495  0.495  0.802  1.0
  O  O13  1  0.626  0.626  0.869  1.0
  O  O14  1  0.374  0.374  0.318  1.0
  O  O15  1  0.367  0.367  0.730  1.0
  O  O16  1  0.354  0.354  0.529  1.0
  O  O17  1  0.359  0.359  0.925  1.0
  O  O18  1  0.640  0.640  0.075  1.0
  O  O19  1  0.641  0.641  0.473  1.0
  O  O20  1  0.637  0.637  0.263  1.0
  O  O21  1  0.636  0.636  0.681  1.0
  O  O22  1  0.364  0.364  0.131  1.0
[/CIF]
.
The compound described by Li8(FeO2)5 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(7), one O(9), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(9) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(9), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(6), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(10), one O(5), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(6), one O(8), and two equivalent O(10) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing LiO4 trigonal pyramids. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(6), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(7), and one O(9) atom. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(7), and one O(8) atom. In the fourth Fe site, Fe(4) is bonded in a square co-planar geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the fifth Fe site, Fe(5) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one Fe(1), and one Fe(3) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(3), one Fe(2), and one Fe(5) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(5)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid, corners with two equivalent O(3)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(4)Li4Fe2 octahedra, and edges with three equivalent O(9)Li4Fe2 octahedra. In the fourth O site, O(4) is bonded to one Li(2), one Li(8), two equivalent Li(1), one Fe(2), and one Fe(3) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(9)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe2 trigonal bipyramid, and edges with three equivalent O(7)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-41°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(4), one Fe(4), and one Fe(5) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid, corners with two equivalent O(5)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(10)Li4Fe2 octahedra, and edges with two equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(4), one Li(7), two equivalent Li(5), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(6)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 trigonal bipyramid, edges with three equivalent O(10)Li4Fe2 octahedra,  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid, and edges with two equivalent O(5)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the seventh O site, O(7) is bonded to one Li(1), two equivalent Li(8), one Fe(2), and one Fe(3) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid, corners with two equivalent O(7)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(9)Li4Fe2 octahedra, and edges with three equivalent O(4)Li4Fe2 octahedra. In the eighth O site, O(8) is bonded to one Li(7), two equivalent Li(6), one Fe(1), and one Fe(3) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(10)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid, corners with two equivalent O(8)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(6)Li4Fe2 octahedra, and edges with two equivalent O(10)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Fe(2), and one Fe(5) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li4Fe2 octahedra, corners with two equivalent O(9)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 trigonal bipyramid, edges with two equivalent O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid, and edges with three equivalent O(3)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-47°. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), two equivalent Li(7), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(10)Li4Fe2 octahedra,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid, edges with three equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 trigonal bipyramid, and edges with two equivalent O(8)Li3Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. is represented by the CIF card [CIF]
data_Li8(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.452
_cell_length_b   5.452
_cell_length_c   14.468
_cell_angle_alpha   74.470
_cell_angle_beta   74.470
_cell_angle_gamma   38.715
_symmetry_Int_Tables_number   1
_cell_volume   257.964
_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  0.786  0.786  0.535  1.0
  Li  Li1  1  0.215  0.215  0.662  1.0
  Li  Li2  1  0.776  0.776  0.756  1.0
  Li  Li3  1  0.774  0.774  0.927  1.0
  Li  Li4  1  0.215  0.215  0.052  1.0
  Li  Li5  1  0.223  0.223  0.265  1.0
  Li  Li6  1  0.787  0.787  0.147  1.0
  Li  Li7  1  0.227  0.227  0.442  1.0
  Fe  Fe8  1  0.501  0.501  0.200  1.0
  Fe  Fe9  1  0.500  0.500  0.598  1.0
  Fe  Fe10  1  0.506  0.506  0.399  1.0
  Fe  Fe11  1  0.499  0.499  0.999  1.0
  Fe  Fe12  1  0.495  0.495  0.802  1.0
  O  O13  1  0.626  0.626  0.869  1.0
  O  O14  1  0.374  0.374  0.318  1.0
  O  O15  1  0.367  0.367  0.730  1.0
  O  O16  1  0.354  0.354  0.529  1.0
  O  O17  1  0.359  0.359  0.925  1.0
  O  O18  1  0.640  0.640  0.075  1.0
  O  O19  1  0.641  0.641  0.473  1.0
  O  O20  1  0.637  0.637  0.263  1.0
  O  O21  1  0.636  0.636  0.681  1.0
  O  O22  1  0.364  0.364  0.131  1.0
[/CIF]
.