The structure described by Li2Fe(CoO3)2 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), one Co(1), and one Co(2) atom to form a mixture of edge and corner-sharing OLi2FeCo2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), one Co(1), and one Co(2) atom to form a mixture of edge and corner-sharing OLi2FeCo2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2Fe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.960
_cell_length_b   9.991
_cell_length_c   4.927
_cell_angle_alpha   90.014
_cell_angle_beta   59.788
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.000
_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  0.164  0.751  0.500  1.0
  Li  Li1  1  0.336  0.249  0.500  1.0
  Li  Li2  1  0.664  0.749  0.500  1.0
  Li  Li3  1  0.836  0.251  0.500  1.0
  Fe  Fe4  1  0.000  1.000  0.999  1.0
  Fe  Fe5  1  0.500  0.500  0.999  1.0
  Co  Co6  1  0.335  1.000  0.330  1.0
  Co  Co7  1  0.835  0.500  0.330  1.0
  Co  Co8  1  0.164  0.500  0.672  1.0
  Co  Co9  1  0.664  0.000  0.672  1.0
  O  O10  1  0.167  0.597  0.995  1.0
  O  O11  1  0.339  0.097  0.995  1.0
  O  O12  1  0.667  0.903  0.995  1.0
  O  O13  1  0.839  0.403  0.994  1.0
  O  O14  1  0.992  0.897  0.349  1.0
  O  O15  1  0.159  0.397  0.348  1.0
  O  O16  1  0.492  0.603  0.348  1.0
  O  O17  1  0.659  0.103  0.348  1.0
  O  O18  1  0.001  0.103  0.656  1.0
  O  O19  1  0.343  0.897  0.656  1.0
  O  O20  1  0.501  0.397  0.656  1.0
  O  O21  1  0.843  0.603  0.656  1.0
[/CIF]
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The structure described by Li2Fe(CoO3)2 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Fe(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), one Co(1), and one Co(2) atom to form a mixture of edge and corner-sharing OLi2FeCo2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), one Co(1), and one Co(2) atom to form a mixture of edge and corner-sharing OLi2FeCo2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2Fe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.960
_cell_length_b   9.991
_cell_length_c   4.927
_cell_angle_alpha   90.014
_cell_angle_beta   59.788
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.000
_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  0.164  0.751  0.500  1.0
  Li  Li1  1  0.336  0.249  0.500  1.0
  Li  Li2  1  0.664  0.749  0.500  1.0
  Li  Li3  1  0.836  0.251  0.500  1.0
  Fe  Fe4  1  0.000  1.000  0.999  1.0
  Fe  Fe5  1  0.500  0.500  0.999  1.0
  Co  Co6  1  0.335  1.000  0.330  1.0
  Co  Co7  1  0.835  0.500  0.330  1.0
  Co  Co8  1  0.164  0.500  0.672  1.0
  Co  Co9  1  0.664  0.000  0.672  1.0
  O  O10  1  0.167  0.597  0.995  1.0
  O  O11  1  0.339  0.097  0.995  1.0
  O  O12  1  0.667  0.903  0.995  1.0
  O  O13  1  0.839  0.403  0.994  1.0
  O  O14  1  0.992  0.897  0.349  1.0
  O  O15  1  0.159  0.397  0.348  1.0
  O  O16  1  0.492  0.603  0.348  1.0
  O  O17  1  0.659  0.103  0.348  1.0
  O  O18  1  0.001  0.103  0.656  1.0
  O  O19  1  0.343  0.897  0.656  1.0
  O  O20  1  0.501  0.397  0.656  1.0
  O  O21  1  0.843  0.603  0.656  1.0
[/CIF]
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