The structure described by Li2Co4O7F is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), two equivalent O(2), two equivalent O(3), and one F(1) atom to form LiO5F octahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(2)O5F octahedra. In the second Li site, Li(2) is bonded to one O(1), two equivalent O(2), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O5F octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with six equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 55-66°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with three equivalent Li(1)O5F octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with six equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form CoO5F octahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O5F octahedra, edges with two equivalent Co(2)O5F octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O5F octahedra, and edges with four equivalent Co(2)O5F octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Co(3), and two equivalent Co(2) atoms to form distorted OLiCo3 trigonal pyramids that share corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with three equivalent O(5)Co4 trigonal pyramids, and corners with four equivalent O(3)LiCo3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(5)Co4 trigonal pyramid,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  a cornercorner with one O(4)LiCo3 trigonal pyramid, corners with two equivalent O(1)LiCo3 trigonal pyramids,  an edgeedge with one O(5)Co4 trigonal pyramid,  an edgeedge with one O(3)LiCo3 trigonal pyramid, and  an edgeedge with one O(4)LiCo3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted OLiCo3 trigonal pyramids that share  a cornercorner with one O(5)Co4 trigonal pyramid, corners with two equivalent O(1)LiCo3 trigonal pyramids, corners with two equivalent O(3)LiCo3 trigonal pyramids,  an edgeedge with one O(5)Co4 trigonal pyramid, and edges with two equivalent O(3)LiCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Co(1), one Co(3), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids. F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li2Co4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.703
_cell_length_c   5.786
_cell_angle_alpha   60.458
_cell_angle_beta   60.458
_cell_angle_gamma   61.053
_symmetry_Int_Tables_number   1
_cell_volume   135.042
_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  0.500  0.500  0.001  1.0
  Li  Li1  1  0.885  0.885  0.868  1.0
  Co  Co2  1  0.115  0.115  0.131  1.0
  Co  Co3  1  0.493  0.002  0.494  1.0
  Co  Co4  1  0.002  0.493  0.494  1.0
  Co  Co5  1  0.502  0.502  0.505  1.0
  O  O6  1  0.741  0.741  0.286  1.0
  O  O7  1  0.755  0.294  0.707  1.0
  O  O8  1  0.294  0.755  0.707  1.0
  O  O9  1  0.709  0.248  0.291  1.0
  O  O10  1  0.250  0.250  0.282  1.0
  O  O11  1  0.248  0.709  0.291  1.0
  O  O12  1  0.257  0.257  0.714  1.0
  F  F13  1  0.748  0.748  0.729  1.0
[/CIF]
.
The structure described by Li2Co4O7F is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), two equivalent O(2), two equivalent O(3), and one F(1) atom to form LiO5F octahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(2)O5F octahedra. In the second Li site, Li(2) is bonded to one O(1), two equivalent O(2), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O5F octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with six equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 55-66°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with three equivalent Li(1)O5F octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with six equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form CoO5F octahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O5F octahedra, edges with two equivalent Co(2)O5F octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O5F octahedra, and edges with four equivalent Co(2)O5F octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Co(3), and two equivalent Co(2) atoms to form distorted OLiCo3 trigonal pyramids that share corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with three equivalent O(5)Co4 trigonal pyramids, and corners with four equivalent O(3)LiCo3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(5)Co4 trigonal pyramid,  a cornercorner with one O(3)LiCo3 trigonal pyramid,  a cornercorner with one O(4)LiCo3 trigonal pyramid, corners with two equivalent O(1)LiCo3 trigonal pyramids,  an edgeedge with one O(5)Co4 trigonal pyramid,  an edgeedge with one O(3)LiCo3 trigonal pyramid, and  an edgeedge with one O(4)LiCo3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted OLiCo3 trigonal pyramids that share  a cornercorner with one O(5)Co4 trigonal pyramid, corners with two equivalent O(1)LiCo3 trigonal pyramids, corners with two equivalent O(3)LiCo3 trigonal pyramids,  an edgeedge with one O(5)Co4 trigonal pyramid, and edges with two equivalent O(3)LiCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Co(1), one Co(3), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids. F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li2Co4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.703
_cell_length_c   5.786
_cell_angle_alpha   60.458
_cell_angle_beta   60.458
_cell_angle_gamma   61.053
_symmetry_Int_Tables_number   1
_cell_volume   135.042
_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  0.500  0.500  0.001  1.0
  Li  Li1  1  0.885  0.885  0.868  1.0
  Co  Co2  1  0.115  0.115  0.131  1.0
  Co  Co3  1  0.493  0.002  0.494  1.0
  Co  Co4  1  0.002  0.493  0.494  1.0
  Co  Co5  1  0.502  0.502  0.505  1.0
  O  O6  1  0.741  0.741  0.286  1.0
  O  O7  1  0.755  0.294  0.707  1.0
  O  O8  1  0.294  0.755  0.707  1.0
  O  O9  1  0.709  0.248  0.291  1.0
  O  O10  1  0.250  0.250  0.282  1.0
  O  O11  1  0.248  0.709  0.291  1.0
  O  O12  1  0.257  0.257  0.714  1.0
  F  F13  1  0.748  0.748  0.729  1.0
[/CIF]
.