The crystal structure described by LiCoOF2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form distorted LiF6 pentagonal pyramids that share corners with two equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Co(1)O2F3 trigonal bipyramids, edges with two equivalent Li(1)F6 pentagonal pyramids,  an edgeedge with one Li(2)O2F2 tetrahedra, and edges with two equivalent Co(1)O2F3 trigonal bipyramids. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form distorted LiO2F2 tetrahedra that share corners with two equivalent Li(1)F6 pentagonal pyramids, corners with six equivalent Co(1)O2F3 trigonal bipyramids, and  an edgeedge with one Li(1)F6 pentagonal pyramid. Co(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form CoO2F3 trigonal bipyramids that share corners with two equivalent Li(1)F6 pentagonal pyramids, corners with three equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Co(1)O2F3 trigonal bipyramids, and  an edgeedge with one Li(1)F6 pentagonal pyramid. O(1) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing FLi3Co trigonal pyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one 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   6.625
_cell_length_b   6.625
_cell_length_c   6.107
_cell_angle_alpha   72.280
_cell_angle_beta   72.280
_cell_angle_gamma   68.878
_symmetry_Int_Tables_number   1
_cell_volume   232.415
_cell_formula_units_Z   4
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  0.908  0.092  0.250  1.0
  Li  Li1  1  0.308  0.692  0.250  1.0
  Li  Li2  1  0.092  0.908  0.750  1.0
  Li  Li3  1  0.692  0.308  0.750  1.0
  Co  Co4  1  0.788  0.674  0.233  1.0
  Co  Co5  1  0.674  0.788  0.733  1.0
  Co  Co6  1  0.326  0.212  0.267  1.0
  Co  Co7  1  0.212  0.326  0.767  1.0
  O  O8  1  0.608  0.684  0.066  1.0
  O  O9  1  0.684  0.608  0.566  1.0
  O  O10  1  0.316  0.392  0.434  1.0
  O  O11  1  0.392  0.316  0.934  1.0
  F  F12  1  0.042  0.782  0.135  1.0
  F  F13  1  0.782  0.042  0.635  1.0
  F  F14  1  0.983  0.358  0.246  1.0
  F  F15  1  0.358  0.983  0.746  1.0
  F  F16  1  0.642  0.017  0.254  1.0
  F  F17  1  0.017  0.642  0.754  1.0
  F  F18  1  0.218  0.958  0.365  1.0
  F  F19  1  0.958  0.218  0.865  1.0
[/CIF]
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The crystal structure described by LiCoOF2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form distorted LiF6 pentagonal pyramids that share corners with two equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Co(1)O2F3 trigonal bipyramids, edges with two equivalent Li(1)F6 pentagonal pyramids,  an edgeedge with one Li(2)O2F2 tetrahedra, and edges with two equivalent Co(1)O2F3 trigonal bipyramids. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form distorted LiO2F2 tetrahedra that share corners with two equivalent Li(1)F6 pentagonal pyramids, corners with six equivalent Co(1)O2F3 trigonal bipyramids, and  an edgeedge with one Li(1)F6 pentagonal pyramid. Co(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form CoO2F3 trigonal bipyramids that share corners with two equivalent Li(1)F6 pentagonal pyramids, corners with three equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Co(1)O2F3 trigonal bipyramids, and  an edgeedge with one Li(1)F6 pentagonal pyramid. O(1) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing FLi3Co trigonal pyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one 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   6.625
_cell_length_b   6.625
_cell_length_c   6.107
_cell_angle_alpha   72.280
_cell_angle_beta   72.280
_cell_angle_gamma   68.878
_symmetry_Int_Tables_number   1
_cell_volume   232.415
_cell_formula_units_Z   4
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  0.908  0.092  0.250  1.0
  Li  Li1  1  0.308  0.692  0.250  1.0
  Li  Li2  1  0.092  0.908  0.750  1.0
  Li  Li3  1  0.692  0.308  0.750  1.0
  Co  Co4  1  0.788  0.674  0.233  1.0
  Co  Co5  1  0.674  0.788  0.733  1.0
  Co  Co6  1  0.326  0.212  0.267  1.0
  Co  Co7  1  0.212  0.326  0.767  1.0
  O  O8  1  0.608  0.684  0.066  1.0
  O  O9  1  0.684  0.608  0.566  1.0
  O  O10  1  0.316  0.392  0.434  1.0
  O  O11  1  0.392  0.316  0.934  1.0
  F  F12  1  0.042  0.782  0.135  1.0
  F  F13  1  0.782  0.042  0.635  1.0
  F  F14  1  0.983  0.358  0.246  1.0
  F  F15  1  0.358  0.983  0.746  1.0
  F  F16  1  0.642  0.017  0.254  1.0
  F  F17  1  0.017  0.642  0.754  1.0
  F  F18  1  0.218  0.958  0.365  1.0
  F  F19  1  0.958  0.218  0.865  1.0
[/CIF]
.