The material structure described by LiCo2OF3 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent F(1) atoms to form LiOF3 tetrahedra that share corners with three equivalent Co(2)F6 octahedra and corners with nine equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Co(2)F6 octahedra, and edges with four equivalent Co(1)O2F4 octahedra. In the second Co site, Co(2) is bonded to six equivalent F(1) atoms to form CoF6 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra and edges with six equivalent Co(1)O2F4 octahedra. O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form corner-sharing OLiCo3 tetrahedra. F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCo2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   6.217
_cell_length_c   6.217
_cell_angle_alpha   57.748
_cell_angle_beta   57.748
_cell_angle_gamma   57.748
_symmetry_Int_Tables_number   1
_cell_volume   161.109
_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  0.647  0.647  0.647  1.0
  Li  Li1  1  0.353  0.353  0.353  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  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  0.774  0.774  0.774  1.0
  O  O7  1  0.226  0.226  0.226  1.0
  F  F8  1  0.239  0.751  0.239  1.0
  F  F9  1  0.239  0.239  0.751  1.0
  F  F10  1  0.249  0.761  0.761  1.0
  F  F11  1  0.751  0.239  0.239  1.0
  F  F12  1  0.761  0.761  0.249  1.0
  F  F13  1  0.761  0.249  0.761  1.0
[/CIF]
.
The material structure described by LiCo2OF3 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent F(1) atoms to form LiOF3 tetrahedra that share corners with three equivalent Co(2)F6 octahedra and corners with nine equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Co(2)F6 octahedra, and edges with four equivalent Co(1)O2F4 octahedra. In the second Co site, Co(2) is bonded to six equivalent F(1) atoms to form CoF6 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra and edges with six equivalent Co(1)O2F4 octahedra. O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form corner-sharing OLiCo3 tetrahedra. F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCo2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   6.217
_cell_length_c   6.217
_cell_angle_alpha   57.748
_cell_angle_beta   57.748
_cell_angle_gamma   57.748
_symmetry_Int_Tables_number   1
_cell_volume   161.109
_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  0.647  0.647  0.647  1.0
  Li  Li1  1  0.353  0.353  0.353  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  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  0.774  0.774  0.774  1.0
  O  O7  1  0.226  0.226  0.226  1.0
  F  F8  1  0.239  0.751  0.239  1.0
  F  F9  1  0.239  0.239  0.751  1.0
  F  F10  1  0.249  0.761  0.761  1.0
  F  F11  1  0.751  0.239  0.239  1.0
  F  F12  1  0.761  0.761  0.249  1.0
  F  F13  1  0.761  0.249  0.761  1.0
[/CIF]
.