The structure described by LiCoOF2 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, and corners with two equivalent Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one F(2), one F(4), one F(5), and one F(7) atom to form LiO2F4 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Li(4)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third Li site, Li(3) is bonded to one O(1), one F(1), one F(3), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Li(2)O2F4 octahedra, corners with two equivalent Li(4)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, corners with two equivalent Li(1)F4 tetrahedra, and  a cornercorner with one Co(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 51-74°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one F(2), one F(5), one F(7), and one F(8) atom to form distorted LiO2F4 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(8) atom. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one F(6) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(4)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-73°. In the third Co site, Co(3) is bonded to one O(4), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form CoOF5 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids,  an edgeedge with one Li(4)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 58°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one F(4), one F(5), one F(6), and one F(8) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Co(2)O4F trigonal bipyramid,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)O2F4 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Co(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Co(1), and one Co(2) atom to form OLi2Co2 tetrahedra that share corners with two equivalent F(7)Li3Co tetrahedra and  an edgeedge with one F(2)Li3Co tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Co(1), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one Co(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Co(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), and one Co(1) atom to form distorted FLi3Co tetrahedra that share corners with two equivalent F(7)Li3Co tetrahedra, corners with two equivalent F(4)Li2Co2 trigonal pyramids, and  an edgeedge with one O(1)Li2Co2 tetrahedra. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Co(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing FLi2Co2 trigonal pyramids. In the fifth F site, F(5) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one Co(3), and one Co(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), one Li(4), and one Co(3) atom to form FLi3Co tetrahedra that share corners with two equivalent O(1)Li2Co2 tetrahedra, corners with two equivalent F(2)Li3Co tetrahedra, and  an edgeedge with one F(4)Li2Co2 trigonal pyramid. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(4), one Co(1), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   8.891
_cell_length_c   9.445
_cell_angle_alpha   93.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.615
_cell_formula_units_Z   8
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  0.180  0.166  0.997  1.0
  Li  Li1  1  0.160  0.830  0.798  1.0
  Li  Li2  1  0.340  0.330  0.298  1.0
  Li  Li3  1  0.320  0.666  0.497  1.0
  Li  Li4  1  0.675  0.356  0.992  1.0
  Li  Li5  1  0.665  0.661  0.795  1.0
  Li  Li6  1  0.835  0.161  0.295  1.0
  Li  Li7  1  0.825  0.856  0.492  1.0
  Co  Co8  1  0.199  0.469  0.800  1.0
  Co  Co9  1  0.228  0.133  0.588  1.0
  Co  Co10  1  0.272  0.633  0.088  1.0
  Co  Co11  1  0.301  0.970  0.300  1.0
  Co  Co12  1  0.655  0.016  0.801  1.0
  Co  Co13  1  0.654  0.337  0.566  1.0
  Co  Co14  1  0.846  0.837  0.066  1.0
  Co  Co15  1  0.845  0.516  0.301  1.0
  O  O16  1  0.065  0.023  0.434  1.0
  O  O17  1  0.005  0.693  0.954  1.0
  O  O18  1  0.157  0.826  0.172  1.0
  O  O19  1  0.138  0.502  0.204  1.0
  O  O20  1  0.362  0.002  0.704  1.0
  O  O21  1  0.343  0.326  0.672  1.0
  O  O22  1  0.495  0.193  0.454  1.0
  O  O23  1  0.435  0.523  0.934  1.0
  F  F24  1  0.017  0.334  0.925  1.0
  F  F25  1  0.181  0.155  0.195  1.0
  F  F26  1  0.319  0.655  0.695  1.0
  F  F27  1  0.483  0.834  0.425  1.0
  F  F28  1  0.528  0.170  0.938  1.0
  F  F29  1  0.529  0.500  0.427  1.0
  F  F30  1  0.543  0.843  0.933  1.0
  F  F31  1  0.646  0.661  0.180  1.0
  F  F32  1  0.669  0.342  0.194  1.0
  F  F33  1  0.662  0.983  0.198  1.0
  F  F34  1  0.838  0.483  0.698  1.0
  F  F35  1  0.831  0.842  0.694  1.0
  F  F36  1  0.854  0.161  0.680  1.0
  F  F37  1  0.957  0.343  0.433  1.0
  F  F38  1  0.971  0.000  0.927  1.0
  F  F39  1  0.972  0.670  0.438  1.0
[/CIF]
.
The structure described by LiCoOF2 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, and corners with two equivalent Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one F(2), one F(4), one F(5), and one F(7) atom to form LiO2F4 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Li(4)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third Li site, Li(3) is bonded to one O(1), one F(1), one F(3), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Li(2)O2F4 octahedra, corners with two equivalent Li(4)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, corners with two equivalent Li(1)F4 tetrahedra, and  a cornercorner with one Co(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 51-74°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one F(2), one F(5), one F(7), and one F(8) atom to form distorted LiO2F4 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(8) atom. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one F(6) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(4)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-73°. In the third Co site, Co(3) is bonded to one O(4), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form CoOF5 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Co(2)O4F trigonal bipyramids,  an edgeedge with one Li(4)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 58°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one F(4), one F(5), one F(6), and one F(8) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Co(2)O4F trigonal bipyramid,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)O2F4 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Co(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Co(1), and one Co(2) atom to form OLi2Co2 tetrahedra that share corners with two equivalent F(7)Li3Co tetrahedra and  an edgeedge with one F(2)Li3Co tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Co(1), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one Co(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Co(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), and one Co(1) atom to form distorted FLi3Co tetrahedra that share corners with two equivalent F(7)Li3Co tetrahedra, corners with two equivalent F(4)Li2Co2 trigonal pyramids, and  an edgeedge with one O(1)Li2Co2 tetrahedra. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Co(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing FLi2Co2 trigonal pyramids. In the fifth F site, F(5) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one Co(3), and one Co(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), one Li(4), and one Co(3) atom to form FLi3Co tetrahedra that share corners with two equivalent O(1)Li2Co2 tetrahedra, corners with two equivalent F(2)Li3Co tetrahedra, and  an edgeedge with one F(4)Li2Co2 trigonal pyramid. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(4), one Co(1), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   8.891
_cell_length_c   9.445
_cell_angle_alpha   93.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.615
_cell_formula_units_Z   8
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  0.180  0.166  0.997  1.0
  Li  Li1  1  0.160  0.830  0.798  1.0
  Li  Li2  1  0.340  0.330  0.298  1.0
  Li  Li3  1  0.320  0.666  0.497  1.0
  Li  Li4  1  0.675  0.356  0.992  1.0
  Li  Li5  1  0.665  0.661  0.795  1.0
  Li  Li6  1  0.835  0.161  0.295  1.0
  Li  Li7  1  0.825  0.856  0.492  1.0
  Co  Co8  1  0.199  0.469  0.800  1.0
  Co  Co9  1  0.228  0.133  0.588  1.0
  Co  Co10  1  0.272  0.633  0.088  1.0
  Co  Co11  1  0.301  0.970  0.300  1.0
  Co  Co12  1  0.655  0.016  0.801  1.0
  Co  Co13  1  0.654  0.337  0.566  1.0
  Co  Co14  1  0.846  0.837  0.066  1.0
  Co  Co15  1  0.845  0.516  0.301  1.0
  O  O16  1  0.065  0.023  0.434  1.0
  O  O17  1  0.005  0.693  0.954  1.0
  O  O18  1  0.157  0.826  0.172  1.0
  O  O19  1  0.138  0.502  0.204  1.0
  O  O20  1  0.362  0.002  0.704  1.0
  O  O21  1  0.343  0.326  0.672  1.0
  O  O22  1  0.495  0.193  0.454  1.0
  O  O23  1  0.435  0.523  0.934  1.0
  F  F24  1  0.017  0.334  0.925  1.0
  F  F25  1  0.181  0.155  0.195  1.0
  F  F26  1  0.319  0.655  0.695  1.0
  F  F27  1  0.483  0.834  0.425  1.0
  F  F28  1  0.528  0.170  0.938  1.0
  F  F29  1  0.529  0.500  0.427  1.0
  F  F30  1  0.543  0.843  0.933  1.0
  F  F31  1  0.646  0.661  0.180  1.0
  F  F32  1  0.669  0.342  0.194  1.0
  F  F33  1  0.662  0.983  0.198  1.0
  F  F34  1  0.838  0.483  0.698  1.0
  F  F35  1  0.831  0.842  0.694  1.0
  F  F36  1  0.854  0.161  0.680  1.0
  F  F37  1  0.957  0.343  0.433  1.0
  F  F38  1  0.971  0.000  0.927  1.0
  F  F39  1  0.972  0.670  0.438  1.0
[/CIF]
.