The material described by Li2FeCo3O8 is Spinel-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(4) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(3), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to one Li(2), one Fe(2), and two equivalent Co(1) atoms to form distorted corner-sharing OLiFeCo2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Co(1) atoms to form distorted corner-sharing OLiFeCo2 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.826
_cell_length_b   5.838
_cell_length_c   5.878
_cell_angle_alpha   119.108
_cell_angle_beta   119.660
_cell_angle_gamma   90.084
_symmetry_Int_Tables_number   1
_cell_volume   143.851
_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
  Co  Co0  1  0.500  1.000  0.500  1.0
  Co  Co1  1  0.500  1.000  0.000  1.0
  Co  Co2  1  1.000  1.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.127  0.369  0.254  1.0
  Li  Li5  1  0.873  0.631  0.746  1.0
  O  O6  1  0.727  0.211  0.455  1.0
  O  O7  1  0.273  0.789  0.545  1.0
  O  O8  1  0.259  0.225  0.519  1.0
  O  O9  1  0.268  0.225  0.980  1.0
  O  O10  1  0.712  0.226  0.980  1.0
  O  O11  1  0.288  0.774  0.020  1.0
  O  O12  1  0.732  0.775  0.020  1.0
  O  O13  1  0.741  0.775  0.481  1.0
[/CIF]
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The material described by Li2FeCo3O8 is Spinel-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(4) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(3), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to one Li(2), one Fe(2), and two equivalent Co(1) atoms to form distorted corner-sharing OLiFeCo2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Co(1) atoms to form distorted corner-sharing OLiFeCo2 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.826
_cell_length_b   5.838
_cell_length_c   5.878
_cell_angle_alpha   119.108
_cell_angle_beta   119.660
_cell_angle_gamma   90.084
_symmetry_Int_Tables_number   1
_cell_volume   143.851
_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
  Co  Co0  1  0.500  1.000  0.500  1.0
  Co  Co1  1  0.500  1.000  0.000  1.0
  Co  Co2  1  1.000  1.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.127  0.369  0.254  1.0
  Li  Li5  1  0.873  0.631  0.746  1.0
  O  O6  1  0.727  0.211  0.455  1.0
  O  O7  1  0.273  0.789  0.545  1.0
  O  O8  1  0.259  0.225  0.519  1.0
  O  O9  1  0.268  0.225  0.980  1.0
  O  O10  1  0.712  0.226  0.980  1.0
  O  O11  1  0.288  0.774  0.020  1.0
  O  O12  1  0.732  0.775  0.020  1.0
  O  O13  1  0.741  0.775  0.481  1.0
[/CIF]
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