The compound described by Li5(FeO2)4 crystallizes in the monoclinic Cc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-63°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form edge-sharing OLi3Fe3 octahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted edge-sharing OLi3Fe3 pentagonal pyramids. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(4) atom to form edge-sharing OLi3Fe3 octahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form edge-sharing OLi3Fe3 octahedra. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Fe(1), one Fe(2), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Fe(2), one Fe(3), and one Fe(4) atom. is represented by the CIF file [CIF]
data_Li5(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.009
_cell_length_b   6.009
_cell_length_c   9.918
_cell_angle_alpha   89.836
_cell_angle_beta   89.836
_cell_angle_gamma   119.707
_symmetry_Int_Tables_number   1
_cell_volume   311.034
_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  0.810  0.203  0.957  1.0
  Li  Li1  1  0.395  0.198  0.960  1.0
  Li  Li2  1  0.663  0.330  0.740  1.0
  Li  Li3  1  0.805  0.610  0.957  1.0
  Li  Li4  1  0.198  0.395  0.460  1.0
  Li  Li5  1  0.610  0.805  0.457  1.0
  Li  Li6  1  1.000  0.997  0.526  1.0
  Li  Li7  1  0.330  0.663  0.240  1.0
  Li  Li8  1  0.997  1.000  0.026  1.0
  Li  Li9  1  0.203  0.810  0.457  1.0
  Fe  Fe10  1  0.663  0.325  0.485  1.0
  Fe  Fe11  1  0.325  0.663  0.985  1.0
  Fe  Fe12  1  0.830  0.165  0.227  1.0
  Fe  Fe13  1  0.336  0.167  0.226  1.0
  Fe  Fe14  1  0.828  0.656  0.228  1.0
  Fe  Fe15  1  0.167  0.336  0.726  1.0
  Fe  Fe16  1  0.656  0.828  0.728  1.0
  Fe  Fe17  1  0.165  0.830  0.727  1.0
  O  O18  1  0.828  0.156  0.603  1.0
  O  O19  1  0.516  0.017  0.350  1.0
  O  O20  1  0.682  0.338  0.107  1.0
  O  O21  1  0.332  0.152  0.598  1.0
  O  O22  1  0.983  0.487  0.351  1.0
  O  O23  1  0.521  0.497  0.357  1.0
  O  O24  1  0.152  0.332  0.098  1.0
  O  O25  1  0.834  0.664  0.607  1.0
  O  O26  1  0.497  0.521  0.857  1.0
  O  O27  1  0.664  0.834  0.107  1.0
  O  O28  1  0.338  0.682  0.607  1.0
  O  O29  1  0.988  0.978  0.837  1.0
  O  O30  1  0.017  0.516  0.850  1.0
  O  O31  1  0.487  0.983  0.851  1.0
  O  O32  1  0.156  0.828  0.103  1.0
  O  O33  1  0.978  0.988  0.337  1.0
[/CIF]
.
The compound described by Li5(FeO2)4 crystallizes in the monoclinic Cc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-63°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form edge-sharing OLi3Fe3 octahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted edge-sharing OLi3Fe3 pentagonal pyramids. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(4) atom to form edge-sharing OLi3Fe3 octahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form edge-sharing OLi3Fe3 octahedra. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Fe(1), one Fe(2), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Fe(2), one Fe(3), and one Fe(4) atom. is represented by the CIF file [CIF]
data_Li5(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.009
_cell_length_b   6.009
_cell_length_c   9.918
_cell_angle_alpha   89.836
_cell_angle_beta   89.836
_cell_angle_gamma   119.707
_symmetry_Int_Tables_number   1
_cell_volume   311.034
_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  0.810  0.203  0.957  1.0
  Li  Li1  1  0.395  0.198  0.960  1.0
  Li  Li2  1  0.663  0.330  0.740  1.0
  Li  Li3  1  0.805  0.610  0.957  1.0
  Li  Li4  1  0.198  0.395  0.460  1.0
  Li  Li5  1  0.610  0.805  0.457  1.0
  Li  Li6  1  1.000  0.997  0.526  1.0
  Li  Li7  1  0.330  0.663  0.240  1.0
  Li  Li8  1  0.997  1.000  0.026  1.0
  Li  Li9  1  0.203  0.810  0.457  1.0
  Fe  Fe10  1  0.663  0.325  0.485  1.0
  Fe  Fe11  1  0.325  0.663  0.985  1.0
  Fe  Fe12  1  0.830  0.165  0.227  1.0
  Fe  Fe13  1  0.336  0.167  0.226  1.0
  Fe  Fe14  1  0.828  0.656  0.228  1.0
  Fe  Fe15  1  0.167  0.336  0.726  1.0
  Fe  Fe16  1  0.656  0.828  0.728  1.0
  Fe  Fe17  1  0.165  0.830  0.727  1.0
  O  O18  1  0.828  0.156  0.603  1.0
  O  O19  1  0.516  0.017  0.350  1.0
  O  O20  1  0.682  0.338  0.107  1.0
  O  O21  1  0.332  0.152  0.598  1.0
  O  O22  1  0.983  0.487  0.351  1.0
  O  O23  1  0.521  0.497  0.357  1.0
  O  O24  1  0.152  0.332  0.098  1.0
  O  O25  1  0.834  0.664  0.607  1.0
  O  O26  1  0.497  0.521  0.857  1.0
  O  O27  1  0.664  0.834  0.107  1.0
  O  O28  1  0.338  0.682  0.607  1.0
  O  O29  1  0.988  0.978  0.837  1.0
  O  O30  1  0.017  0.516  0.850  1.0
  O  O31  1  0.487  0.983  0.851  1.0
  O  O32  1  0.156  0.828  0.103  1.0
  O  O33  1  0.978  0.988  0.337  1.0
[/CIF]
.