The crystal structure described by Li4(FeO2)5 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  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 edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(10)Li2Fe4 octahedra, corners with two equivalent O(6)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(2)Li3Fe2 square pyramids, corners with two equivalent O(3)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(9)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(8)LiFe4 square pyramid, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(3)LiFe4 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(5)Li3Fe2 square pyramids, corners with two equivalent O(1)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 10-20°. In the third O site, O(3) is bonded to one Li(3), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra, corners with two equivalent O(9)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li3Fe2 square pyramid, corners with two equivalent O(1)LiFe4 square pyramids, corners with two equivalent O(8)LiFe4 square pyramids,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(10)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid, and  an edgeedge with one O(8)LiFe4 square pyramid. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(10)Li2Fe4 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(2)Li3Fe2 square pyramid,  a cornercorner with one O(3)LiFe4 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, edges with two equivalent O(10)Li2Fe4 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid, and edges with two equivalent O(8)LiFe4 square pyramids. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), and one Fe(3) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(6)Li4Fe2 octahedra, corners with two equivalent O(10)Li2Fe4 octahedra,  a cornercorner with one O(1)LiFe4 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(2)Li3Fe2 square pyramids,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid, and  an edgeedge with one O(3)LiFe4 square pyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(1)LiFe4 square pyramids, edges with two equivalent O(10)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(8)LiFe4 square pyramid, and edges with two equivalent O(2)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(9)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe2 square pyramid,  a cornercorner with one O(3)LiFe4 square pyramid, corners with two equivalent O(5)Li3Fe2 square pyramids, corners with two equivalent O(8)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(9)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid, and edges with two equivalent O(1)LiFe4 square pyramids. The corner-sharing octahedral tilt angles range from 1-11°. In the eighth O site, O(8) is bonded to one Li(3), one Fe(2), one Fe(3), one Fe(4), and one Fe(5) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(10)Li2Fe4 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(2)Li3Fe2 square pyramid,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(1)LiFe4 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(3)LiFe4 square pyramids,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(9)Li4Fe2 octahedra, edges with two equivalent O(10)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(1)LiFe4 square pyramid, and  an edgeedge with one O(3)LiFe4 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(10)Li2Fe4 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li3Fe2 square pyramid, corners with two equivalent O(3)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid,  an edgeedge with one O(8)LiFe4 square pyramid, edges with two equivalent O(2)Li3Fe2 square pyramids, and edges with two equivalent O(5)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 4-11°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Fe(2), one Fe(3), one Fe(4), and one Fe(5) atom to form OLi2Fe4 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(1)LiFe4 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(5)Li3Fe2 square pyramids,  an edgeedge with one O(9)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid, edges with two equivalent O(3)LiFe4 square pyramids, and edges with two equivalent O(8)LiFe4 square pyramids. The corner-sharing octahedral tilt angles range from 4-15°. is represented by the CIF card [CIF]
data_Li4(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.172
_cell_length_c   7.907
_cell_angle_alpha   70.953
_cell_angle_beta   71.378
_cell_angle_gamma   79.370
_symmetry_Int_Tables_number   1
_cell_volume   188.457
_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  0.221  0.502  0.576  1.0
  Li  Li1  1  0.507  0.017  0.492  1.0
  Li  Li2  1  0.611  0.506  0.777  1.0
  Li  Li3  1  0.784  0.505  0.404  1.0
  Fe  Fe4  1  0.106  0.982  0.311  1.0
  Fe  Fe5  1  0.001  0.496  0.007  1.0
  Fe  Fe6  1  0.684  0.009  0.113  1.0
  Fe  Fe7  1  0.303  0.995  0.893  1.0
  Fe  Fe8  1  0.895  0.999  0.690  1.0
  O  O9  1  0.037  0.764  0.139  1.0
  O  O10  1  0.110  0.216  0.479  1.0
  O  O11  1  0.337  0.224  0.050  1.0
  O  O12  1  0.224  0.751  0.769  1.0
  O  O13  1  0.456  0.787  0.341  1.0
  O  O14  1  0.553  0.226  0.664  1.0
  O  O15  1  0.786  0.245  0.235  1.0
  O  O16  1  0.677  0.780  0.928  1.0
  O  O17  1  0.867  0.764  0.546  1.0
  O  O18  1  0.951  0.243  0.862  1.0
[/CIF]
.
The crystal structure described by Li4(FeO2)5 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  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 edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(10)Li2Fe4 octahedra, corners with two equivalent O(6)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(2)Li3Fe2 square pyramids, corners with two equivalent O(3)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(9)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(8)LiFe4 square pyramid, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(3)LiFe4 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(5)Li3Fe2 square pyramids, corners with two equivalent O(1)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 10-20°. In the third O site, O(3) is bonded to one Li(3), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra, corners with two equivalent O(9)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li3Fe2 square pyramid, corners with two equivalent O(1)LiFe4 square pyramids, corners with two equivalent O(8)LiFe4 square pyramids,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(10)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid, and  an edgeedge with one O(8)LiFe4 square pyramid. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(10)Li2Fe4 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(2)Li3Fe2 square pyramid,  a cornercorner with one O(3)LiFe4 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, edges with two equivalent O(10)Li2Fe4 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid, and edges with two equivalent O(8)LiFe4 square pyramids. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), and one Fe(3) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(6)Li4Fe2 octahedra, corners with two equivalent O(10)Li2Fe4 octahedra,  a cornercorner with one O(1)LiFe4 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(2)Li3Fe2 square pyramids,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid, and  an edgeedge with one O(3)LiFe4 square pyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(1)LiFe4 square pyramids, edges with two equivalent O(10)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(9)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(8)LiFe4 square pyramid, and edges with two equivalent O(2)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(9)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe2 square pyramid,  a cornercorner with one O(3)LiFe4 square pyramid, corners with two equivalent O(5)Li3Fe2 square pyramids, corners with two equivalent O(8)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(9)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(3)LiFe4 square pyramid, and edges with two equivalent O(1)LiFe4 square pyramids. The corner-sharing octahedral tilt angles range from 1-11°. In the eighth O site, O(8) is bonded to one Li(3), one Fe(2), one Fe(3), one Fe(4), and one Fe(5) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(10)Li2Fe4 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(2)Li3Fe2 square pyramid,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(1)LiFe4 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, corners with two equivalent O(3)LiFe4 square pyramids,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(9)Li4Fe2 octahedra, edges with two equivalent O(10)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(1)LiFe4 square pyramid, and  an edgeedge with one O(3)LiFe4 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(10)Li2Fe4 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li3Fe2 square pyramid, corners with two equivalent O(3)LiFe4 square pyramids,  an edgeedge with one O(10)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid,  an edgeedge with one O(8)LiFe4 square pyramid, edges with two equivalent O(2)Li3Fe2 square pyramids, and edges with two equivalent O(5)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 4-11°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Fe(2), one Fe(3), one Fe(4), and one Fe(5) atom to form OLi2Fe4 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(9)Li4Fe2 octahedra,  a cornercorner with one O(1)LiFe4 square pyramid,  a cornercorner with one O(8)LiFe4 square pyramid, corners with two equivalent O(5)Li3Fe2 square pyramids,  an edgeedge with one O(9)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiFe4 square pyramid, edges with two equivalent O(3)LiFe4 square pyramids, and edges with two equivalent O(8)LiFe4 square pyramids. The corner-sharing octahedral tilt angles range from 4-15°. is represented by the CIF card [CIF]
data_Li4(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.172
_cell_length_c   7.907
_cell_angle_alpha   70.953
_cell_angle_beta   71.378
_cell_angle_gamma   79.370
_symmetry_Int_Tables_number   1
_cell_volume   188.457
_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  0.221  0.502  0.576  1.0
  Li  Li1  1  0.507  0.017  0.492  1.0
  Li  Li2  1  0.611  0.506  0.777  1.0
  Li  Li3  1  0.784  0.505  0.404  1.0
  Fe  Fe4  1  0.106  0.982  0.311  1.0
  Fe  Fe5  1  0.001  0.496  0.007  1.0
  Fe  Fe6  1  0.684  0.009  0.113  1.0
  Fe  Fe7  1  0.303  0.995  0.893  1.0
  Fe  Fe8  1  0.895  0.999  0.690  1.0
  O  O9  1  0.037  0.764  0.139  1.0
  O  O10  1  0.110  0.216  0.479  1.0
  O  O11  1  0.337  0.224  0.050  1.0
  O  O12  1  0.224  0.751  0.769  1.0
  O  O13  1  0.456  0.787  0.341  1.0
  O  O14  1  0.553  0.226  0.664  1.0
  O  O15  1  0.786  0.245  0.235  1.0
  O  O16  1  0.677  0.780  0.928  1.0
  O  O17  1  0.867  0.764  0.546  1.0
  O  O18  1  0.951  0.243  0.862  1.0
[/CIF]
.