The structure described by LiFeCoO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi2Fe2Co square pyramids. is represented by the CIF file [CIF]
data_LiFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.847
_cell_length_c   5.847
_cell_angle_alpha   120.716
_cell_angle_beta   118.546
_cell_angle_gamma   90.651
_symmetry_Int_Tables_number   1
_cell_volume   142.077
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.212  0.753  0.459  1.0
  O  O7  1  0.229  0.218  0.489  1.0
  O  O8  1  0.206  0.247  0.959  1.0
  O  O9  1  0.229  0.741  0.011  1.0
  O  O10  1  0.771  0.259  0.989  1.0
  O  O11  1  0.794  0.753  0.041  1.0
  O  O12  1  0.771  0.782  0.511  1.0
  O  O13  1  0.788  0.247  0.541  1.0
[/CIF]
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The structure described by LiFeCoO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi2Fe2Co square pyramids. is represented by the CIF file [CIF]
data_LiFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.847
_cell_length_c   5.847
_cell_angle_alpha   120.716
_cell_angle_beta   118.546
_cell_angle_gamma   90.651
_symmetry_Int_Tables_number   1
_cell_volume   142.077
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.212  0.753  0.459  1.0
  O  O7  1  0.229  0.218  0.489  1.0
  O  O8  1  0.206  0.247  0.959  1.0
  O  O9  1  0.229  0.741  0.011  1.0
  O  O10  1  0.771  0.259  0.989  1.0
  O  O11  1  0.794  0.753  0.041  1.0
  O  O12  1  0.771  0.782  0.511  1.0
  O  O13  1  0.788  0.247  0.541  1.0
[/CIF]
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