The material structure described by Li2Co2OF6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(11), one F(2), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(4)OF5 octahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second Li site, Li(2) is bonded to one F(1), one F(3), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(4)OF5 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(1)OF5 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the third Li site, Li(3) is bonded to one F(12), one F(7), one F(8), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(1)OF5 octahedra, corners with two equivalent Co(3)OF5 octahedra, corners with two equivalent Co(4)OF5 octahedra, and corners with two equivalent Li(4)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the fourth Li site, Li(4) is bonded to one O(1), one F(10), one F(12), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(4)OF5 octahedra, and corners with two equivalent Li(3)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(12), one F(2), one F(4), one F(5), and one F(6) atom to form CoOF5 octahedra that share  a cornercorner with one Co(3)OF5 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(6) atom to form CoO2F4 octahedra that share  a cornercorner with one Co(4)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles are 24°. In the third Co site, Co(3) is bonded to one O(2), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form CoOF5 octahedra that share  a cornercorner with one Co(1)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Co(2)O2F4 octahedra, and edges with two equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth Co site, Co(4) is bonded to one O(2), one F(1), one F(10), one F(11), one F(7), and one F(8) atom to form CoOF5 octahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(4), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(4) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Co(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one Co(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Co(1) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Co(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(3), one Co(3), and one Co(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(3) and one Co(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(4), one Co(3), and one Co(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one Co(4) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   6.831
_cell_length_c   8.460
_cell_angle_alpha   69.909
_cell_angle_beta   76.540
_cell_angle_gamma   85.080
_symmetry_Int_Tables_number   1
_cell_volume   275.260
_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  0.344  0.757  0.903  1.0
  Li  Li1  1  0.869  0.984  0.751  1.0
  Li  Li2  1  0.126  0.009  0.259  1.0
  Li  Li3  1  0.671  0.254  0.088  1.0
  Co  Co4  1  0.269  0.284  0.824  1.0
  Co  Co5  1  0.823  0.519  0.665  1.0
  Co  Co6  1  0.162  0.478  0.330  1.0
  Co  Co7  1  0.706  0.711  0.204  1.0
  O  O8  1  0.943  0.388  0.874  1.0
  O  O9  1  0.822  0.582  0.408  1.0
  F  F10  1  0.651  0.811  0.975  1.0
  F  F11  1  0.457  0.566  0.776  1.0
  F  F12  1  0.912  0.792  0.629  1.0
  F  F13  1  0.653  0.245  0.704  1.0
  F  F14  1  0.190  0.018  0.811  1.0
  F  F15  1  0.197  0.418  0.571  1.0
  F  F16  1  0.815  0.986  0.188  1.0
  F  F17  1  0.328  0.754  0.297  1.0
  F  F18  1  0.086  0.207  0.372  1.0
  F  F19  1  0.545  0.438  0.222  1.0
  F  F20  1  0.080  0.618  0.101  1.0
  F  F21  1  0.352  0.181  0.048  1.0
[/CIF]
.
The material structure described by Li2Co2OF6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(11), one F(2), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(4)OF5 octahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second Li site, Li(2) is bonded to one F(1), one F(3), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(4)OF5 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(1)OF5 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the third Li site, Li(3) is bonded to one F(12), one F(7), one F(8), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(1)OF5 octahedra, corners with two equivalent Co(3)OF5 octahedra, corners with two equivalent Co(4)OF5 octahedra, and corners with two equivalent Li(4)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the fourth Li site, Li(4) is bonded to one O(1), one F(10), one F(12), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(4)OF5 octahedra, and corners with two equivalent Li(3)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(12), one F(2), one F(4), one F(5), and one F(6) atom to form CoOF5 octahedra that share  a cornercorner with one Co(3)OF5 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(6) atom to form CoO2F4 octahedra that share  a cornercorner with one Co(4)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles are 24°. In the third Co site, Co(3) is bonded to one O(2), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form CoOF5 octahedra that share  a cornercorner with one Co(1)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Co(2)O2F4 octahedra, and edges with two equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth Co site, Co(4) is bonded to one O(2), one F(1), one F(10), one F(11), one F(7), and one F(8) atom to form CoOF5 octahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(4), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(4) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Co(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one Co(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Co(1) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Co(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(3), one Co(3), and one Co(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(3) and one Co(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(4), one Co(3), and one Co(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one Co(4) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   6.831
_cell_length_c   8.460
_cell_angle_alpha   69.909
_cell_angle_beta   76.540
_cell_angle_gamma   85.080
_symmetry_Int_Tables_number   1
_cell_volume   275.260
_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  0.344  0.757  0.903  1.0
  Li  Li1  1  0.869  0.984  0.751  1.0
  Li  Li2  1  0.126  0.009  0.259  1.0
  Li  Li3  1  0.671  0.254  0.088  1.0
  Co  Co4  1  0.269  0.284  0.824  1.0
  Co  Co5  1  0.823  0.519  0.665  1.0
  Co  Co6  1  0.162  0.478  0.330  1.0
  Co  Co7  1  0.706  0.711  0.204  1.0
  O  O8  1  0.943  0.388  0.874  1.0
  O  O9  1  0.822  0.582  0.408  1.0
  F  F10  1  0.651  0.811  0.975  1.0
  F  F11  1  0.457  0.566  0.776  1.0
  F  F12  1  0.912  0.792  0.629  1.0
  F  F13  1  0.653  0.245  0.704  1.0
  F  F14  1  0.190  0.018  0.811  1.0
  F  F15  1  0.197  0.418  0.571  1.0
  F  F16  1  0.815  0.986  0.188  1.0
  F  F17  1  0.328  0.754  0.297  1.0
  F  F18  1  0.086  0.207  0.372  1.0
  F  F19  1  0.545  0.438  0.222  1.0
  F  F20  1  0.080  0.618  0.101  1.0
  F  F21  1  0.352  0.181  0.048  1.0
[/CIF]
.