The crystal structure described by Li2CoOF3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), and one F(5) atom to form distorted LiOF4 trigonal bipyramids that share corners with two equivalent Co(2)O2F3 trigonal bipyramids and edges with two equivalent Co(1)O2F3 trigonal bipyramids. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one F(1), one F(2), one F(4), and one F(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(4), one F(5), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one F(2), one F(3), and one F(5) atom to form CoO2F3 trigonal bipyramids that share corners with two equivalent Co(2)O2F3 trigonal bipyramids and edges with two equivalent Li(1)OF4 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(4), and one F(6) atom to form distorted CoO2F3 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids and corners with two equivalent Co(1)O2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one Co(2) 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 a mixture of distorted edge and corner-sharing FLi3Co trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Li(4), and one Co(1) atom to form a mixture of edge and corner-sharing FLi3Co tetrahedra. In the fourth F site, F(4) is bonded to one Li(2), one Li(3), one Li(4), and one Co(2) atom to form a mixture of edge and corner-sharing FLi3Co tetrahedra. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one Co(1) atom. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one Co(2) atom to form a mixture of distorted edge and corner-sharing FLi3Co tetrahedra. is represented by the CIF file [CIF]
data_Li2CoOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.388
_cell_length_c   6.002
_cell_angle_alpha   87.488
_cell_angle_beta   87.570
_cell_angle_gamma   60.740
_symmetry_Int_Tables_number   1
_cell_volume   150.896
_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  0.047  0.919  0.475  1.0
  Co  Co1  1  0.917  0.052  0.983  1.0
  F  F2  1  0.501  0.307  0.063  1.0
  F  F3  1  0.318  0.502  0.568  1.0
  F  F4  1  0.415  0.909  0.410  1.0
  F  F5  1  0.906  0.415  0.890  1.0
  F  F6  1  0.899  0.329  0.361  1.0
  F  F7  1  0.349  0.894  0.898  1.0
  Li  Li8  1  0.264  0.334  0.313  1.0
  Li  Li9  1  0.321  0.266  0.815  1.0
  Li  Li10  1  0.656  0.659  0.150  1.0
  Li  Li11  1  0.615  0.630  0.660  1.0
  O  O12  1  0.970  0.802  0.207  1.0
  O  O13  1  0.823  0.983  0.709  1.0
[/CIF]
.
The crystal structure described by Li2CoOF3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), and one F(5) atom to form distorted LiOF4 trigonal bipyramids that share corners with two equivalent Co(2)O2F3 trigonal bipyramids and edges with two equivalent Co(1)O2F3 trigonal bipyramids. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one F(1), one F(2), one F(4), and one F(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(4), one F(5), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one F(2), one F(3), and one F(5) atom to form CoO2F3 trigonal bipyramids that share corners with two equivalent Co(2)O2F3 trigonal bipyramids and edges with two equivalent Li(1)OF4 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(4), and one F(6) atom to form distorted CoO2F3 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids and corners with two equivalent Co(1)O2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one Co(2) 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 a mixture of distorted edge and corner-sharing FLi3Co trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Li(4), and one Co(1) atom to form a mixture of edge and corner-sharing FLi3Co tetrahedra. In the fourth F site, F(4) is bonded to one Li(2), one Li(3), one Li(4), and one Co(2) atom to form a mixture of edge and corner-sharing FLi3Co tetrahedra. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one Co(1) atom. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one Co(2) atom to form a mixture of distorted edge and corner-sharing FLi3Co tetrahedra. is represented by the CIF file [CIF]
data_Li2CoOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.388
_cell_length_c   6.002
_cell_angle_alpha   87.488
_cell_angle_beta   87.570
_cell_angle_gamma   60.740
_symmetry_Int_Tables_number   1
_cell_volume   150.896
_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  0.047  0.919  0.475  1.0
  Co  Co1  1  0.917  0.052  0.983  1.0
  F  F2  1  0.501  0.307  0.063  1.0
  F  F3  1  0.318  0.502  0.568  1.0
  F  F4  1  0.415  0.909  0.410  1.0
  F  F5  1  0.906  0.415  0.890  1.0
  F  F6  1  0.899  0.329  0.361  1.0
  F  F7  1  0.349  0.894  0.898  1.0
  Li  Li8  1  0.264  0.334  0.313  1.0
  Li  Li9  1  0.321  0.266  0.815  1.0
  Li  Li10  1  0.656  0.659  0.150  1.0
  Li  Li11  1  0.615  0.630  0.660  1.0
  O  O12  1  0.970  0.802  0.207  1.0
  O  O13  1  0.823  0.983  0.709  1.0
[/CIF]
.