The material structure described by Li(FeO2)8 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(3), and two equivalent O(9) atoms. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(13), and two equivalent O(14) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), two equivalent O(15), and two equivalent O(16) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Fe site, Fe(3) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(7), two equivalent O(11), and two equivalent O(12) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(2), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh Fe site, Fe(7) is bonded to one O(13), one O(16), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the eighth Fe site, Fe(8) is bonded to one O(15), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(7) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(7) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Fe(2), and two equivalent Fe(8) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded to one Li(1), one Fe(8), and two equivalent Fe(5) atoms to form OLiFe3 trigonal pyramids that share corners with two equivalent O(6)LiFe3 trigonal pyramids and edges with two equivalent O(9)Li2Fe3 square pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the ninth O site, O(9) is bonded to two equivalent Li(1), one Fe(5), and two equivalent Fe(3) atoms to form OLi2Fe3 square pyramids that share edges with two equivalent O(9)Li2Fe3 square pyramids and edges with two equivalent O(6)LiFe3 trigonal pyramids. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Fe(7) and two equivalent Fe(1) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Fe(8) and two equivalent Fe(2) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Li(FeO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.969
_cell_length_b   10.229
_cell_length_c   10.142
_cell_angle_alpha   89.927
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.028
_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  0.500  0.601  0.547  1.0
  Fe  Fe1  1  0.000  0.120  0.334  1.0
  Fe  Fe2  1  0.000  0.634  0.153  1.0
  Fe  Fe3  1  0.500  0.618  0.835  1.0
  Fe  Fe4  1  0.500  0.137  0.651  1.0
  Fe  Fe5  1  0.000  0.823  0.673  1.0
  Fe  Fe6  1  0.000  0.302  0.851  1.0
  Fe  Fe7  1  0.500  0.320  0.168  1.0
  Fe  Fe8  1  0.500  0.806  0.351  1.0
  O  O9  1  0.000  0.315  0.293  1.0
  O  O10  1  0.000  0.308  0.045  1.0
  O  O11  1  0.000  0.675  0.361  1.0
  O  O12  1  0.000  0.928  0.339  1.0
  O  O13  1  0.500  0.813  0.795  1.0
  O  O14  1  0.500  0.803  0.546  1.0
  O  O15  1  0.500  0.180  0.848  1.0
  O  O16  1  0.500  0.425  0.837  1.0
  O  O17  1  0.000  0.621  0.691  1.0
  O  O18  1  0.000  0.631  0.957  1.0
  O  O19  1  0.000  0.262  0.655  1.0
  O  O20  1  0.000  0.013  0.664  1.0
  O  O21  1  0.500  0.125  0.211  1.0
  O  O22  1  0.500  0.134  0.458  1.0
  O  O23  1  0.500  0.758  0.161  1.0
  O  O24  1  0.500  0.511  0.169  1.0
[/CIF]
.
The material structure described by Li(FeO2)8 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(3), and two equivalent O(9) atoms. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(13), and two equivalent O(14) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), two equivalent O(15), and two equivalent O(16) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Fe site, Fe(3) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(7), two equivalent O(11), and two equivalent O(12) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(2), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh Fe site, Fe(7) is bonded to one O(13), one O(16), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the eighth Fe site, Fe(8) is bonded to one O(15), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(7) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(7) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Fe(2), and two equivalent Fe(8) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded to one Li(1), one Fe(8), and two equivalent Fe(5) atoms to form OLiFe3 trigonal pyramids that share corners with two equivalent O(6)LiFe3 trigonal pyramids and edges with two equivalent O(9)Li2Fe3 square pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the ninth O site, O(9) is bonded to two equivalent Li(1), one Fe(5), and two equivalent Fe(3) atoms to form OLi2Fe3 square pyramids that share edges with two equivalent O(9)Li2Fe3 square pyramids and edges with two equivalent O(6)LiFe3 trigonal pyramids. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Fe(7) and two equivalent Fe(1) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Fe(8) and two equivalent Fe(2) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Li(FeO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.969
_cell_length_b   10.229
_cell_length_c   10.142
_cell_angle_alpha   89.927
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.028
_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  0.500  0.601  0.547  1.0
  Fe  Fe1  1  0.000  0.120  0.334  1.0
  Fe  Fe2  1  0.000  0.634  0.153  1.0
  Fe  Fe3  1  0.500  0.618  0.835  1.0
  Fe  Fe4  1  0.500  0.137  0.651  1.0
  Fe  Fe5  1  0.000  0.823  0.673  1.0
  Fe  Fe6  1  0.000  0.302  0.851  1.0
  Fe  Fe7  1  0.500  0.320  0.168  1.0
  Fe  Fe8  1  0.500  0.806  0.351  1.0
  O  O9  1  0.000  0.315  0.293  1.0
  O  O10  1  0.000  0.308  0.045  1.0
  O  O11  1  0.000  0.675  0.361  1.0
  O  O12  1  0.000  0.928  0.339  1.0
  O  O13  1  0.500  0.813  0.795  1.0
  O  O14  1  0.500  0.803  0.546  1.0
  O  O15  1  0.500  0.180  0.848  1.0
  O  O16  1  0.500  0.425  0.837  1.0
  O  O17  1  0.000  0.621  0.691  1.0
  O  O18  1  0.000  0.631  0.957  1.0
  O  O19  1  0.000  0.262  0.655  1.0
  O  O20  1  0.000  0.013  0.664  1.0
  O  O21  1  0.500  0.125  0.211  1.0
  O  O22  1  0.500  0.134  0.458  1.0
  O  O23  1  0.500  0.758  0.161  1.0
  O  O24  1  0.500  0.511  0.169  1.0
[/CIF]
.