The compound described by Li2(FeO2)5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)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, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-25°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form a mixture of corner and edge-sharing OLiFe4 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one Fe(3) atom. is represented by the CIF file [CIF]
data_Li2(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.159
_cell_length_b   5.141
_cell_length_c   7.864
_cell_angle_alpha   109.150
_cell_angle_beta   100.738
_cell_angle_gamma   101.347
_symmetry_Int_Tables_number   1
_cell_volume   185.941
_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  0.235  0.934  0.425  1.0
  Li  Li1  1  0.765  0.066  0.575  1.0
  Fe  Fe2  1  0.114  0.698  0.690  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.688  0.877  0.887  1.0
  Fe  Fe5  1  0.312  0.123  0.113  1.0
  Fe  Fe6  1  0.886  0.302  0.310  1.0
  O  O7  1  0.034  0.102  0.864  1.0
  O  O8  1  0.089  0.290  0.519  1.0
  O  O9  1  0.325  0.719  0.930  1.0
  O  O10  1  0.194  0.473  0.227  1.0
  O  O11  1  0.447  0.890  0.671  1.0
  O  O12  1  0.553  0.110  0.329  1.0
  O  O13  1  0.806  0.527  0.773  1.0
  O  O14  1  0.675  0.281  0.070  1.0
  O  O15  1  0.911  0.710  0.481  1.0
  O  O16  1  0.966  0.898  0.136  1.0
[/CIF]
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The compound described by Li2(FeO2)5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)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, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-25°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-25°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form a mixture of corner and edge-sharing OLiFe4 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one Fe(3) atom. is represented by the CIF file [CIF]
data_Li2(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.159
_cell_length_b   5.141
_cell_length_c   7.864
_cell_angle_alpha   109.150
_cell_angle_beta   100.738
_cell_angle_gamma   101.347
_symmetry_Int_Tables_number   1
_cell_volume   185.941
_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  0.235  0.934  0.425  1.0
  Li  Li1  1  0.765  0.066  0.575  1.0
  Fe  Fe2  1  0.114  0.698  0.690  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.688  0.877  0.887  1.0
  Fe  Fe5  1  0.312  0.123  0.113  1.0
  Fe  Fe6  1  0.886  0.302  0.310  1.0
  O  O7  1  0.034  0.102  0.864  1.0
  O  O8  1  0.089  0.290  0.519  1.0
  O  O9  1  0.325  0.719  0.930  1.0
  O  O10  1  0.194  0.473  0.227  1.0
  O  O11  1  0.447  0.890  0.671  1.0
  O  O12  1  0.553  0.110  0.329  1.0
  O  O13  1  0.806  0.527  0.773  1.0
  O  O14  1  0.675  0.281  0.070  1.0
  O  O15  1  0.911  0.710  0.481  1.0
  O  O16  1  0.966  0.898  0.136  1.0
[/CIF]
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