The material structure described by LiCo6(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Co(2), one Co(6), one O(1), one F(10), one F(3), and one F(5) atom. 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 CoOF5 octahedra that share corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(5)OF5 octahedra, and  an edgeedge with one Co(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one F(1), one F(10), one F(3), one F(7), and one F(8) atom. 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 a mixture of distorted edge and corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. 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 a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. 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, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one F(10), one F(3), one F(6), and one F(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(3), and one Co(5) 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 trigonal planar 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 trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(1), 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   4.808
_cell_length_b   4.825
_cell_length_c   9.693
_cell_angle_alpha   89.916
_cell_angle_beta   90.434
_cell_angle_gamma   90.500
_symmetry_Int_Tables_number   1
_cell_volume   224.895
_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  0.231  0.225  0.507  1.0
  Co  Co1  1  0.949  0.952  0.004  1.0
  Co  Co2  1  0.045  0.035  0.309  1.0
  Co  Co3  1  0.971  0.984  0.684  1.0
  Co  Co4  1  0.493  0.489  0.160  1.0
  Co  Co5  1  0.477  0.485  0.849  1.0
  Co  Co6  1  0.566  0.564  0.474  1.0
  O  O7  1  0.342  0.340  0.331  1.0
  O  O8  1  0.665  0.664  0.012  1.0
  F  F9  1  0.199  0.801  0.157  1.0
  F  F10  1  0.164  0.779  0.839  1.0
  F  F11  1  0.215  0.834  0.501  1.0
  F  F12  1  0.271  0.275  0.007  1.0
  F  F13  1  0.278  0.284  0.687  1.0
  F  F14  1  0.682  0.686  0.664  1.0
  F  F15  1  0.741  0.732  0.312  1.0
  F  F16  1  0.803  0.193  0.160  1.0
  F  F17  1  0.770  0.172  0.840  1.0
  F  F18  1  0.833  0.214  0.504  1.0
[/CIF]
.
The material structure described by LiCo6(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Co(2), one Co(6), one O(1), one F(10), one F(3), and one F(5) atom. 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 CoOF5 octahedra that share corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(5)OF5 octahedra, and  an edgeedge with one Co(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one F(1), one F(10), one F(3), one F(7), and one F(8) atom. 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 a mixture of distorted edge and corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. 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 a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. 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, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one F(10), one F(3), one F(6), and one F(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(3), and one Co(5) 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 trigonal planar 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 trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(1), 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   4.808
_cell_length_b   4.825
_cell_length_c   9.693
_cell_angle_alpha   89.916
_cell_angle_beta   90.434
_cell_angle_gamma   90.500
_symmetry_Int_Tables_number   1
_cell_volume   224.895
_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  0.231  0.225  0.507  1.0
  Co  Co1  1  0.949  0.952  0.004  1.0
  Co  Co2  1  0.045  0.035  0.309  1.0
  Co  Co3  1  0.971  0.984  0.684  1.0
  Co  Co4  1  0.493  0.489  0.160  1.0
  Co  Co5  1  0.477  0.485  0.849  1.0
  Co  Co6  1  0.566  0.564  0.474  1.0
  O  O7  1  0.342  0.340  0.331  1.0
  O  O8  1  0.665  0.664  0.012  1.0
  F  F9  1  0.199  0.801  0.157  1.0
  F  F10  1  0.164  0.779  0.839  1.0
  F  F11  1  0.215  0.834  0.501  1.0
  F  F12  1  0.271  0.275  0.007  1.0
  F  F13  1  0.278  0.284  0.687  1.0
  F  F14  1  0.682  0.686  0.664  1.0
  F  F15  1  0.741  0.732  0.312  1.0
  F  F16  1  0.803  0.193  0.160  1.0
  F  F17  1  0.770  0.172  0.840  1.0
  F  F18  1  0.833  0.214  0.504  1.0
[/CIF]
.