The material structure described by LiCoOF2 is Ilmenite-derived structured and crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.051
_cell_length_b   5.051
_cell_length_c   5.687
_cell_angle_alpha   60.216
_cell_angle_beta   60.216
_cell_angle_gamma   63.143
_symmetry_Int_Tables_number   1
_cell_volume   105.151
_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  0.540  0.081  0.343  1.0
  Li  Li1  1  0.081  0.540  0.843  1.0
  Co  Co2  1  0.262  0.775  0.212  1.0
  Co  Co3  1  0.775  0.262  0.712  1.0
  O  O4  1  0.397  0.126  0.983  1.0
  O  O5  1  0.126  0.397  0.483  1.0
  F  F6  1  0.658  0.476  0.007  1.0
  F  F7  1  1.000  0.861  0.986  1.0
  F  F8  1  0.861  1.000  0.486  1.0
  F  F9  1  0.476  0.658  0.507  1.0
[/CIF]
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The material structure described by LiCoOF2 is Ilmenite-derived structured and crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.051
_cell_length_b   5.051
_cell_length_c   5.687
_cell_angle_alpha   60.216
_cell_angle_beta   60.216
_cell_angle_gamma   63.143
_symmetry_Int_Tables_number   1
_cell_volume   105.151
_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  0.540  0.081  0.343  1.0
  Li  Li1  1  0.081  0.540  0.843  1.0
  Co  Co2  1  0.262  0.775  0.212  1.0
  Co  Co3  1  0.775  0.262  0.712  1.0
  O  O4  1  0.397  0.126  0.983  1.0
  O  O5  1  0.126  0.397  0.483  1.0
  F  F6  1  0.658  0.476  0.007  1.0
  F  F7  1  1.000  0.861  0.986  1.0
  F  F8  1  0.861  1.000  0.486  1.0
  F  F9  1  0.476  0.658  0.507  1.0
[/CIF]
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