The compound described by Li8(FeO2)5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(16), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(15), one O(2), one O(4), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(3), and one O(7) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(14), one O(2), one O(4), and one O(8) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(14), and one O(2) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(11), one O(16), one O(3), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(10), one O(12), one O(15), and one O(4) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the ninth Li site, Li(9) is bonded to one O(13), one O(17), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the tenth Li site, Li(10) is bonded to one O(14), one O(18), one O(5), and one O(8) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eleventh Li site, Li(11) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(19), one O(6), and one O(7) atom. In the twelfth Li site, Li(12) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(20), one O(5), and one O(8) atom. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(13), one O(17), and one O(19) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fourteenth Li site, Li(14) is bonded to one O(12), one O(14), one O(18), and one O(20) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifteenth Li site, Li(15) is bonded to one O(10), one O(15), one O(17), and one O(19) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixteenth Li site, Li(16) is bonded to one O(16), one O(18), one O(20), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(18), and one O(19) atom. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(13), one O(2), one O(6), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(16), one O(4), one O(6), 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(14), and one O(18) atom. In the fifth Fe site, Fe(5) is bonded in a rectangular see-saw-like geometry to one O(12), one O(15), one O(19), and one O(3) atom. In the sixth Fe site, Fe(6) is bonded in a square co-planar geometry to one O(11), one O(17), one O(20), and one O(9) atom. In the seventh Fe site, Fe(7) is bonded in a rectangular see-saw-like geometry to one O(1), one O(14), one O(5), and one O(7) atom. In the eighth Fe site, Fe(8) is bonded in a rectangular see-saw-like geometry to one O(15), one O(3), one O(5), and one O(7) atom. In the ninth Fe site, Fe(9) is bonded in a rectangular see-saw-like geometry to one O(13), one O(17), one O(2), and one O(9) atom. In the tenth Fe site, Fe(10) is bonded in a rectangular see-saw-like geometry to one O(11), one O(16), one O(20), and one O(4) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Fe(4), and one Fe(7) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(16)Li4Fe2 octahedra, corners with two equivalent O(5)Li3Fe2 square pyramids,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Fe(2), and one Fe(9) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(15)Li4Fe2 octahedra, corners with two equivalent O(6)Li3Fe2 square pyramids,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(4)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(7), one Fe(5), and one Fe(8) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid, corners with two equivalent O(7)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid, and  an edgeedge with one O(1)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(8), one Fe(10), and one Fe(3) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid, corners with two equivalent O(8)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(6)Li3Fe2 square pyramid, and  an edgeedge with one O(2)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fifth O site, O(5) is bonded to one Li(1), one Li(10), one Li(12), one Fe(7), and one Fe(8) atom to form distorted OLi3Fe2 square pyramids that share  a cornercorner with one O(15)Li4Fe2 octahedra,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid, corners with two equivalent O(1)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the sixth O site, O(6) is bonded to one Li(11), one Li(2), one Li(9), one Fe(2), and one Fe(3) atom to form distorted OLi3Fe2 square pyramids that share  a cornercorner with one O(16)Li4Fe2 octahedra,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid, corners with two equivalent O(2)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(4)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the seventh O site, O(7) is bonded to one Li(11), one Li(3), one Li(9), one Fe(7), and one Fe(8) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid, corners with two equivalent O(3)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid, and  an edgeedge with one O(1)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. In the eighth O site, O(8) is bonded to one Li(10), one Li(12), one Li(4), one Fe(2), and one Fe(3) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid, corners with two equivalent O(4)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid, and  an edgeedge with one O(2)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. In the ninth O site, O(9) is bonded to one Li(16), one Li(5), one Li(7), one Fe(6), and one Fe(9) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(11)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(17)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(20)Li3Fe2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(15), one Li(6), one Li(8), one Fe(1), and one Fe(4) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(12)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(18)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(19)Li3Fe2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(13), one Li(5), one Li(7), one Fe(10), and one Fe(6) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(17)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(20)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Fe2 trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(14), one Li(6), one Li(8), one Fe(1), and one Fe(5) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(18)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(19)Li3Fe2 trigonal bipyramid. In the thirteenth O site, O(13) is bonded to one Li(13), one Li(3), one Li(5), one Li(9), one Fe(2), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(14), one Li(4), one Li(6), one Fe(4), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the fifteenth O site, O(15) is bonded to one Li(11), one Li(15), one Li(2), one Li(8), one Fe(5), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(12), one Li(16), one Li(7), one Fe(10), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the seventeenth O site, O(17) is bonded to one Li(13), one Li(15), one Li(9), one Fe(6), and one Fe(9) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(15)Li4Fe2 octahedra,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(11)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(19)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-47°. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(14), one Li(16), one Fe(1), and one Fe(4) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(16)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(20)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-47°. In the nineteenth O site, O(19) is bonded to one Li(11), one Li(13), one Li(15), one Fe(1), and one Fe(5) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(15)Li4Fe2 octahedra,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(17)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-50°. In the twentieth O site, O(20) is bonded to one Li(12), one Li(14), one Li(16), one Fe(10), and one Fe(6) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(16)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(11)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(18)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.449
_cell_length_b   6.751
_cell_length_c   8.026
_cell_angle_alpha   79.724
_cell_angle_beta   77.529
_cell_angle_gamma   66.215
_symmetry_Int_Tables_number   1
_cell_volume   262.410
_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
  Fe  Fe0  1  0.000  0.300  0.599  1.0
  Fe  Fe1  1  0.996  0.103  0.198  1.0
  Fe  Fe2  1  0.001  0.502  0.001  1.0
  Fe  Fe3  1  0.011  0.701  0.404  1.0
  Fe  Fe4  1  0.993  0.894  0.797  1.0
  Li  Li5  1  0.445  0.658  0.065  1.0
  Li  Li6  1  0.557  0.945  0.131  1.0
  Li  Li7  1  0.450  0.844  0.443  1.0
  Li  Li8  1  0.549  0.758  0.758  1.0
  Li  Li9  1  0.440  0.285  0.268  1.0
  Li  Li10  1  0.557  0.309  0.933  1.0
  Li  Li11  1  0.559  0.125  0.554  1.0
  Li  Li12  1  0.443  0.477  0.649  1.0
  O  O13  1  0.269  0.833  0.262  1.0
  O  O14  1  0.716  0.784  0.937  1.0
  O  O15  1  0.730  0.352  0.108  1.0
  O  O16  1  0.260  0.225  0.108  1.0
  O  O17  1  0.736  0.587  0.555  1.0
  O  O18  1  0.264  0.016  0.639  1.0
  O  O19  1  0.726  0.990  0.322  1.0
  O  O20  1  0.295  0.612  0.872  1.0
  O  O21  1  0.273  0.406  0.487  1.0
  O  O22  1  0.732  0.194  0.712  1.0
[/CIF]
.
The compound described by Li8(FeO2)5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(16), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(15), one O(2), one O(4), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(3), and one O(7) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(14), one O(2), one O(4), and one O(8) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(14), and one O(2) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(11), one O(16), one O(3), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(10), one O(12), one O(15), and one O(4) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the ninth Li site, Li(9) is bonded to one O(13), one O(17), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the tenth Li site, Li(10) is bonded to one O(14), one O(18), one O(5), and one O(8) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eleventh Li site, Li(11) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(19), one O(6), and one O(7) atom. In the twelfth Li site, Li(12) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(20), one O(5), and one O(8) atom. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(13), one O(17), and one O(19) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fourteenth Li site, Li(14) is bonded to one O(12), one O(14), one O(18), and one O(20) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifteenth Li site, Li(15) is bonded to one O(10), one O(15), one O(17), and one O(19) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixteenth Li site, Li(16) is bonded to one O(16), one O(18), one O(20), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(18), and one O(19) atom. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(13), one O(2), one O(6), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(16), one O(4), one O(6), 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(14), and one O(18) atom. In the fifth Fe site, Fe(5) is bonded in a rectangular see-saw-like geometry to one O(12), one O(15), one O(19), and one O(3) atom. In the sixth Fe site, Fe(6) is bonded in a square co-planar geometry to one O(11), one O(17), one O(20), and one O(9) atom. In the seventh Fe site, Fe(7) is bonded in a rectangular see-saw-like geometry to one O(1), one O(14), one O(5), and one O(7) atom. In the eighth Fe site, Fe(8) is bonded in a rectangular see-saw-like geometry to one O(15), one O(3), one O(5), and one O(7) atom. In the ninth Fe site, Fe(9) is bonded in a rectangular see-saw-like geometry to one O(13), one O(17), one O(2), and one O(9) atom. In the tenth Fe site, Fe(10) is bonded in a rectangular see-saw-like geometry to one O(11), one O(16), one O(20), and one O(4) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Fe(4), and one Fe(7) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(16)Li4Fe2 octahedra, corners with two equivalent O(5)Li3Fe2 square pyramids,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Fe(2), and one Fe(9) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(15)Li4Fe2 octahedra, corners with two equivalent O(6)Li3Fe2 square pyramids,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(4)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(7), one Fe(5), and one Fe(8) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid, corners with two equivalent O(7)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid, and  an edgeedge with one O(1)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(8), one Fe(10), and one Fe(3) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid, corners with two equivalent O(8)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(6)Li3Fe2 square pyramid, and  an edgeedge with one O(2)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fifth O site, O(5) is bonded to one Li(1), one Li(10), one Li(12), one Fe(7), and one Fe(8) atom to form distorted OLi3Fe2 square pyramids that share  a cornercorner with one O(15)Li4Fe2 octahedra,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid, corners with two equivalent O(1)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the sixth O site, O(6) is bonded to one Li(11), one Li(2), one Li(9), one Fe(2), and one Fe(3) atom to form distorted OLi3Fe2 square pyramids that share  a cornercorner with one O(16)Li4Fe2 octahedra,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid, corners with two equivalent O(2)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(4)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(7)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the seventh O site, O(7) is bonded to one Li(11), one Li(3), one Li(9), one Fe(7), and one Fe(8) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid, corners with two equivalent O(3)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid, and  an edgeedge with one O(1)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. In the eighth O site, O(8) is bonded to one Li(10), one Li(12), one Li(4), one Fe(2), and one Fe(3) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid, corners with two equivalent O(4)Li3Fe2 trigonal bipyramids,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid, and  an edgeedge with one O(2)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. In the ninth O site, O(9) is bonded to one Li(16), one Li(5), one Li(7), one Fe(6), and one Fe(9) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(11)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(17)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(20)Li3Fe2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(15), one Li(6), one Li(8), one Fe(1), and one Fe(4) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(12)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(18)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(19)Li3Fe2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(13), one Li(5), one Li(7), one Fe(10), and one Fe(6) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(17)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(20)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Fe2 trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(14), one Li(6), one Li(8), one Fe(1), and one Fe(5) atom to form distorted OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(18)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(19)Li3Fe2 trigonal bipyramid. In the thirteenth O site, O(13) is bonded to one Li(13), one Li(3), one Li(5), one Li(9), one Fe(2), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(14), one Li(4), one Li(6), one Fe(4), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the fifteenth O site, O(15) is bonded to one Li(11), one Li(15), one Li(2), one Li(8), one Fe(5), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(12), one Li(16), one Li(7), one Fe(10), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OLi4Fe2 octahedra. In the seventeenth O site, O(17) is bonded to one Li(13), one Li(15), one Li(9), one Fe(6), and one Fe(9) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(15)Li4Fe2 octahedra,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(10)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(2)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(20)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(13)Li4Fe2 octahedra,  an edgeedge with one O(11)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(19)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-47°. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(14), one Li(16), one Fe(1), and one Fe(4) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(16)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(1)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(19)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(9)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(14)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(20)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-47°. In the nineteenth O site, O(19) is bonded to one Li(11), one Li(13), one Li(15), one Fe(1), and one Fe(5) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(13)Li4Fe2 octahedra,  a cornercorner with one O(15)Li4Fe2 octahedra,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(11)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(18)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(3)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(7)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(15)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(17)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-50°. In the twentieth O site, O(20) is bonded to one Li(12), one Li(14), one Li(16), one Fe(10), and one Fe(6) atom to form OLi3Fe2 trigonal bipyramids that share  a cornercorner with one O(14)Li4Fe2 octahedra,  a cornercorner with one O(16)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3Fe2 square pyramid,  a cornercorner with one O(12)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(17)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(4)Li3Fe2 trigonal bipyramid,  a cornercorner with one O(8)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(16)Li4Fe2 octahedra,  an edgeedge with one O(11)Li3Fe2 trigonal bipyramid,  an edgeedge with one O(18)Li3Fe2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Fe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.449
_cell_length_b   6.751
_cell_length_c   8.026
_cell_angle_alpha   79.724
_cell_angle_beta   77.529
_cell_angle_gamma   66.215
_symmetry_Int_Tables_number   1
_cell_volume   262.410
_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
  Fe  Fe0  1  0.000  0.300  0.599  1.0
  Fe  Fe1  1  0.996  0.103  0.198  1.0
  Fe  Fe2  1  0.001  0.502  0.001  1.0
  Fe  Fe3  1  0.011  0.701  0.404  1.0
  Fe  Fe4  1  0.993  0.894  0.797  1.0
  Li  Li5  1  0.445  0.658  0.065  1.0
  Li  Li6  1  0.557  0.945  0.131  1.0
  Li  Li7  1  0.450  0.844  0.443  1.0
  Li  Li8  1  0.549  0.758  0.758  1.0
  Li  Li9  1  0.440  0.285  0.268  1.0
  Li  Li10  1  0.557  0.309  0.933  1.0
  Li  Li11  1  0.559  0.125  0.554  1.0
  Li  Li12  1  0.443  0.477  0.649  1.0
  O  O13  1  0.269  0.833  0.262  1.0
  O  O14  1  0.716  0.784  0.937  1.0
  O  O15  1  0.730  0.352  0.108  1.0
  O  O16  1  0.260  0.225  0.108  1.0
  O  O17  1  0.736  0.587  0.555  1.0
  O  O18  1  0.264  0.016  0.639  1.0
  O  O19  1  0.726  0.990  0.322  1.0
  O  O20  1  0.295  0.612  0.872  1.0
  O  O21  1  0.273  0.406  0.487  1.0
  O  O22  1  0.732  0.194  0.712  1.0
[/CIF]
.