The structure described by Li2(FeO2)3 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with five equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Fe3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi2Fe3 square pyramids. is represented by the CIF card [CIF]
data_Li2(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.695
_cell_length_b   9.048
_cell_length_c   5.344
_cell_angle_alpha   80.219
_cell_angle_beta   66.879
_cell_angle_gamma   32.903
_symmetry_Int_Tables_number   1
_cell_volume   221.882
_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  0.420  0.420  0.080  1.0
  Li  Li1  1  0.080  0.080  0.420  1.0
  Li  Li2  1  0.170  0.170  0.830  1.0
  Li  Li3  1  0.830  0.830  0.170  1.0
  Fe  Fe4  1  0.913  0.913  0.587  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.587  0.587  0.913  1.0
  Fe  Fe7  1  0.663  0.663  0.337  1.0
  Fe  Fe8  1  0.250  0.250  0.250  1.0
  Fe  Fe9  1  0.337  0.337  0.663  1.0
  O  O10  1  0.128  0.698  0.821  1.0
  O  O11  1  0.698  0.128  0.352  1.0
  O  O12  1  0.217  0.783  0.217  1.0
  O  O13  1  0.821  0.352  0.128  1.0
  O  O14  1  0.783  0.217  0.783  1.0
  O  O15  1  0.352  0.821  0.698  1.0
  O  O16  1  0.429  0.898  0.122  1.0
  O  O17  1  0.898  0.429  0.552  1.0
  O  O18  1  0.033  0.467  0.033  1.0
  O  O19  1  0.467  0.033  0.467  1.0
  O  O20  1  0.552  0.122  0.898  1.0
  O  O21  1  0.122  0.552  0.429  1.0
[/CIF]
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The structure described by Li2(FeO2)3 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with five equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Fe3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi2Fe3 square pyramids. is represented by the CIF card [CIF]
data_Li2(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.695
_cell_length_b   9.048
_cell_length_c   5.344
_cell_angle_alpha   80.219
_cell_angle_beta   66.879
_cell_angle_gamma   32.903
_symmetry_Int_Tables_number   1
_cell_volume   221.882
_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  0.420  0.420  0.080  1.0
  Li  Li1  1  0.080  0.080  0.420  1.0
  Li  Li2  1  0.170  0.170  0.830  1.0
  Li  Li3  1  0.830  0.830  0.170  1.0
  Fe  Fe4  1  0.913  0.913  0.587  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.587  0.587  0.913  1.0
  Fe  Fe7  1  0.663  0.663  0.337  1.0
  Fe  Fe8  1  0.250  0.250  0.250  1.0
  Fe  Fe9  1  0.337  0.337  0.663  1.0
  O  O10  1  0.128  0.698  0.821  1.0
  O  O11  1  0.698  0.128  0.352  1.0
  O  O12  1  0.217  0.783  0.217  1.0
  O  O13  1  0.821  0.352  0.128  1.0
  O  O14  1  0.783  0.217  0.783  1.0
  O  O15  1  0.352  0.821  0.698  1.0
  O  O16  1  0.429  0.898  0.122  1.0
  O  O17  1  0.898  0.429  0.552  1.0
  O  O18  1  0.033  0.467  0.033  1.0
  O  O19  1  0.467  0.033  0.467  1.0
  O  O20  1  0.552  0.122  0.898  1.0
  O  O21  1  0.122  0.552  0.429  1.0
[/CIF]
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