The compound described by Li(FeO2)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing FeO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Li(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.933
_cell_length_c   5.089
_cell_angle_alpha   88.885
_cell_angle_beta   88.885
_cell_angle_gamma   60.207
_symmetry_Int_Tables_number   1
_cell_volume   155.404
_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  0.831  0.169  0.250  1.0
  Li  Li1  1  0.169  0.831  0.750  1.0
  Fe  Fe2  1  0.138  0.398  0.246  1.0
  Fe  Fe3  1  0.602  0.862  0.254  1.0
  Fe  Fe4  1  0.398  0.138  0.746  1.0
  Fe  Fe5  1  0.862  0.602  0.754  1.0
  O  O6  1  0.036  0.270  0.935  1.0
  O  O7  1  0.505  0.786  0.906  1.0
  O  O8  1  0.964  0.730  0.065  1.0
  O  O9  1  0.495  0.214  0.094  1.0
  O  O10  1  0.270  0.036  0.435  1.0
  O  O11  1  0.786  0.505  0.406  1.0
  O  O12  1  0.214  0.495  0.594  1.0
  O  O13  1  0.730  0.964  0.565  1.0
[/CIF]
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The compound described by Li(FeO2)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing FeO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Li(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.933
_cell_length_c   5.089
_cell_angle_alpha   88.885
_cell_angle_beta   88.885
_cell_angle_gamma   60.207
_symmetry_Int_Tables_number   1
_cell_volume   155.404
_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  0.831  0.169  0.250  1.0
  Li  Li1  1  0.169  0.831  0.750  1.0
  Fe  Fe2  1  0.138  0.398  0.246  1.0
  Fe  Fe3  1  0.602  0.862  0.254  1.0
  Fe  Fe4  1  0.398  0.138  0.746  1.0
  Fe  Fe5  1  0.862  0.602  0.754  1.0
  O  O6  1  0.036  0.270  0.935  1.0
  O  O7  1  0.505  0.786  0.906  1.0
  O  O8  1  0.964  0.730  0.065  1.0
  O  O9  1  0.495  0.214  0.094  1.0
  O  O10  1  0.270  0.036  0.435  1.0
  O  O11  1  0.786  0.505  0.406  1.0
  O  O12  1  0.214  0.495  0.594  1.0
  O  O13  1  0.730  0.964  0.565  1.0
[/CIF]
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