The material structure described by Li2Fe3CoO8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 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(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. 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 Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three 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), one Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Fe(2), and one Co(1) atom to form OLi2Fe2Co square pyramids that share corners with two equivalent O(3)Li2Fe3 square pyramids, corners with three equivalent O(2)Li2Fe2Co square pyramids,  an edgeedge with one O(2)Li2Fe2Co square pyramid, and edges with three equivalent O(3)Li2Fe3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2Fe3 square pyramids that share corners with two equivalent O(2)Li2Fe2Co square pyramids, corners with three equivalent O(3)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li2Fe3 square pyramid, and edges with three equivalent O(2)Li2Fe2Co square pyramids. is represented by the CIF file [CIF]
data_Li2Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.984
_cell_length_c   5.889
_cell_angle_alpha   60.524
_cell_angle_beta   90.000
_cell_angle_gamma   74.069
_symmetry_Int_Tables_number   1
_cell_volume   148.596
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.246  1.0
  Fe  Fe4  1  0.500  0.500  0.754  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.218  0.294  0.341  1.0
  O  O7  1  0.218  0.294  0.865  1.0
  O  O8  1  0.244  0.712  0.894  1.0
  O  O9  1  0.249  0.715  0.393  1.0
  O  O10  1  0.751  0.285  0.607  1.0
  O  O11  1  0.756  0.288  0.106  1.0
  O  O12  1  0.782  0.706  0.135  1.0
  O  O13  1  0.782  0.706  0.659  1.0
[/CIF]
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The material structure described by Li2Fe3CoO8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 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(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. 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 Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three 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), one Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Fe(2), and one Co(1) atom to form OLi2Fe2Co square pyramids that share corners with two equivalent O(3)Li2Fe3 square pyramids, corners with three equivalent O(2)Li2Fe2Co square pyramids,  an edgeedge with one O(2)Li2Fe2Co square pyramid, and edges with three equivalent O(3)Li2Fe3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2Fe3 square pyramids that share corners with two equivalent O(2)Li2Fe2Co square pyramids, corners with three equivalent O(3)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li2Fe3 square pyramid, and edges with three equivalent O(2)Li2Fe2Co square pyramids. is represented by the CIF file [CIF]
data_Li2Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.984
_cell_length_c   5.889
_cell_angle_alpha   60.524
_cell_angle_beta   90.000
_cell_angle_gamma   74.069
_symmetry_Int_Tables_number   1
_cell_volume   148.596
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.246  1.0
  Fe  Fe4  1  0.500  0.500  0.754  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.218  0.294  0.341  1.0
  O  O7  1  0.218  0.294  0.865  1.0
  O  O8  1  0.244  0.712  0.894  1.0
  O  O9  1  0.249  0.715  0.393  1.0
  O  O10  1  0.751  0.285  0.607  1.0
  O  O11  1  0.756  0.288  0.106  1.0
  O  O12  1  0.782  0.706  0.135  1.0
  O  O13  1  0.782  0.706  0.659  1.0
[/CIF]
.