The structure described by LiCo6(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom to form distorted LiOF5 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with two equivalent Co(2)OF5 octahedra, edges with two equivalent Co(4)O2F4 octahedra, edges with two equivalent Co(5)OF5 octahedra, and faces with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom to form distorted CoOF5 octahedra that share corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(5)OF5 octahedra,  an edgeedge with one Co(3)F6 octahedra,  an edgeedge with one Co(2)OF5 octahedra, and faces with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(3), one F(7), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with four equivalent Co(5)OF5 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(7), and one F(8) atom to form CoO2F4 octahedra that share corners with four equivalent Co(1)OF5 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(5)OF5 octahedra,  an edgeedge with one Co(6)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the fifth Co site, Co(5) is bonded to one O(2), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form CoOF5 octahedra that share corners with four equivalent Co(3)F6 octahedra, corners with four equivalent Co(1)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(6)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the sixth Co site, Co(6) is bonded to one O(1), one F(10), one F(3), one F(5), one F(6), and one F(7) atom to form CoOF5 octahedra that share corners with four equivalent Co(3)F6 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded to one Li(1), one Co(1), one Co(4), and one Co(5) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one F(1)LiCo3 trigonal pyramid and  an edgeedge with one F(1)LiCo3 trigonal pyramid. There are ten inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Co(1), one Co(2), and one Co(4) atom to form distorted FLiCo3 trigonal pyramids that share  a cornercorner with one O(2)LiCo3 trigonal pyramid and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. is represented by the CIF file [CIF]
data_LiCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   4.844
_cell_length_c   9.280
_cell_angle_alpha   89.573
_cell_angle_beta   89.691
_cell_angle_gamma   92.975
_symmetry_Int_Tables_number   1
_cell_volume   218.215
_cell_formula_units_Z   1
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  0.488  0.996  0.015  1.0
  Co  Co1  1  0.974  0.948  0.997  1.0
  Co  Co2  1  0.028  0.039  0.325  1.0
  Co  Co3  1  1.000  0.004  0.660  1.0
  Co  Co4  1  0.502  0.497  0.167  1.0
  Co  Co5  1  0.509  0.499  0.833  1.0
  Co  Co6  1  0.496  0.506  0.487  1.0
  O  O7  1  0.316  0.336  0.317  1.0
  O  O8  1  0.677  0.663  0.007  1.0
  F  F9  1  0.228  0.824  0.157  1.0
  F  F10  1  0.217  0.826  0.833  1.0
  F  F11  1  0.218  0.835  0.495  1.0
  F  F12  1  0.270  0.297  0.004  1.0
  F  F13  1  0.288  0.326  0.667  1.0
  F  F14  1  0.714  0.682  0.659  1.0
  F  F15  1  0.728  0.703  0.318  1.0
  F  F16  1  0.767  0.170  0.151  1.0
  F  F17  1  0.760  0.152  0.836  1.0
  F  F18  1  0.806  0.199  0.494  1.0
[/CIF]
.
The structure described by LiCo6(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom to form distorted LiOF5 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with two equivalent Co(2)OF5 octahedra, edges with two equivalent Co(4)O2F4 octahedra, edges with two equivalent Co(5)OF5 octahedra, and faces with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom to form distorted CoOF5 octahedra that share corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(5)OF5 octahedra,  an edgeedge with one Co(3)F6 octahedra,  an edgeedge with one Co(2)OF5 octahedra, and faces with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(3), one F(7), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with four equivalent Co(5)OF5 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(7), and one F(8) atom to form CoO2F4 octahedra that share corners with four equivalent Co(1)OF5 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(5)OF5 octahedra,  an edgeedge with one Co(6)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the fifth Co site, Co(5) is bonded to one O(2), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form CoOF5 octahedra that share corners with four equivalent Co(3)F6 octahedra, corners with four equivalent Co(1)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(6)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the sixth Co site, Co(6) is bonded to one O(1), one F(10), one F(3), one F(5), one F(6), and one F(7) atom to form CoOF5 octahedra that share corners with four equivalent Co(3)F6 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded to one Li(1), one Co(1), one Co(4), and one Co(5) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one F(1)LiCo3 trigonal pyramid and  an edgeedge with one F(1)LiCo3 trigonal pyramid. There are ten inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Co(1), one Co(2), and one Co(4) atom to form distorted FLiCo3 trigonal pyramids that share  a cornercorner with one O(2)LiCo3 trigonal pyramid and  an edgeedge with one O(2)LiCo3 trigonal pyramid. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. is represented by the CIF file [CIF]
data_LiCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   4.844
_cell_length_c   9.280
_cell_angle_alpha   89.573
_cell_angle_beta   89.691
_cell_angle_gamma   92.975
_symmetry_Int_Tables_number   1
_cell_volume   218.215
_cell_formula_units_Z   1
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  0.488  0.996  0.015  1.0
  Co  Co1  1  0.974  0.948  0.997  1.0
  Co  Co2  1  0.028  0.039  0.325  1.0
  Co  Co3  1  1.000  0.004  0.660  1.0
  Co  Co4  1  0.502  0.497  0.167  1.0
  Co  Co5  1  0.509  0.499  0.833  1.0
  Co  Co6  1  0.496  0.506  0.487  1.0
  O  O7  1  0.316  0.336  0.317  1.0
  O  O8  1  0.677  0.663  0.007  1.0
  F  F9  1  0.228  0.824  0.157  1.0
  F  F10  1  0.217  0.826  0.833  1.0
  F  F11  1  0.218  0.835  0.495  1.0
  F  F12  1  0.270  0.297  0.004  1.0
  F  F13  1  0.288  0.326  0.667  1.0
  F  F14  1  0.714  0.682  0.659  1.0
  F  F15  1  0.728  0.703  0.318  1.0
  F  F16  1  0.767  0.170  0.151  1.0
  F  F17  1  0.760  0.152  0.836  1.0
  F  F18  1  0.806  0.199  0.494  1.0
[/CIF]
.