The compound described by Li2CoOF2 is alpha Po-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(1)OF5 octahedra, edges with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with four equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Li site, Li(2) is bonded to one F(1) and five equivalent F(2) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Co(1) is bonded to five equivalent O(1) and one F(1) atom to form CoO5F octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(1)OF5 octahedra, corners with four equivalent Co(1)O5F octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to one Li(1) and five equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one F(1)Li5Co octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), four equivalent Li(1), and one Co(1) atom to form FLi5Co octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent F(1)Li5Co octahedra, edges with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with four equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second F site, F(2) is bonded to one Li(1) and five equivalent Li(2) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(1)Li5Co octahedra, corners with four equivalent F(2)Li6 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Li2CoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.954
_cell_length_b   2.958
_cell_length_c   12.588
_cell_angle_alpha   89.995
_cell_angle_beta   89.664
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   109.964
_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
  Co  Co0  1  0.498  0.500  0.166  1.0
  Co  Co1  1  0.002  0.000  0.334  1.0
  F  F2  1  0.499  0.500  0.989  1.0
  F  F3  1  0.001  0.000  0.511  1.0
  F  F4  1  0.500  0.500  0.669  1.0
  F  F5  1  1.000  0.000  0.831  1.0
  Li  Li6  1  1.000  0.000  0.994  1.0
  Li  Li7  1  0.500  0.500  0.506  1.0
  Li  Li8  1  0.000  0.000  0.670  1.0
  Li  Li9  1  0.500  0.500  0.830  1.0
  O  O10  1  1.000  1.000  0.161  1.0
  O  O11  1  0.500  0.500  0.339  1.0
[/CIF]
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The compound described by Li2CoOF2 is alpha Po-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(1)OF5 octahedra, edges with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with four equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Li site, Li(2) is bonded to one F(1) and five equivalent F(2) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Co(1) is bonded to five equivalent O(1) and one F(1) atom to form CoO5F octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(1)OF5 octahedra, corners with four equivalent Co(1)O5F octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to one Li(1) and five equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one F(1)Li5Co octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), four equivalent Li(1), and one Co(1) atom to form FLi5Co octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent F(1)Li5Co octahedra, edges with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with four equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second F site, F(2) is bonded to one Li(1) and five equivalent Li(2) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(1)Li5Co octahedra, corners with four equivalent F(2)Li6 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Li2CoOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.954
_cell_length_b   2.958
_cell_length_c   12.588
_cell_angle_alpha   89.995
_cell_angle_beta   89.664
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   109.964
_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
  Co  Co0  1  0.498  0.500  0.166  1.0
  Co  Co1  1  0.002  0.000  0.334  1.0
  F  F2  1  0.499  0.500  0.989  1.0
  F  F3  1  0.001  0.000  0.511  1.0
  F  F4  1  0.500  0.500  0.669  1.0
  F  F5  1  1.000  0.000  0.831  1.0
  Li  Li6  1  1.000  0.000  0.994  1.0
  Li  Li7  1  0.500  0.500  0.506  1.0
  Li  Li8  1  0.000  0.000  0.670  1.0
  Li  Li9  1  0.500  0.500  0.830  1.0
  O  O10  1  1.000  1.000  0.161  1.0
  O  O11  1  0.500  0.500  0.339  1.0
[/CIF]
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