The structure described by LiCo6(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(2), one F(5), one F(6), and one F(9) atom to form distorted LiF4 trigonal pyramids that share corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(6)OF5 octahedra, edges with two equivalent Co(3)F6 octahedra, and edges with two equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. 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, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. 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 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 44-56°. 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 four equivalent Co(5)OF5 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra,  an edgeedge with one Co(2)OF5 octahedra, and edges with two equivalent Li(1)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 42-60°. 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 corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. 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)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 42-59°. 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, corners with two equivalent Li(1)F4 trigonal pyramids,  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 42-60°. 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 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 T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded in a 4-coordinate 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 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 4-coordinate geometry to one Li(1), one Co(3), one Co(5), and one Co(6) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(1), 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 T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a 4-coordinate 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 card [CIF]
data_LiCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.826
_cell_length_c   9.414
_cell_angle_alpha   89.151
_cell_angle_beta   88.966
_cell_angle_gamma   92.336
_symmetry_Int_Tables_number   1
_cell_volume   220.704
_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  0.489  0.990  0.740  1.0
  Co  Co1  1  0.966  0.963  0.011  1.0
  Co  Co2  1  0.035  0.036  0.326  1.0
  Co  Co3  1  0.997  1.000  0.657  1.0
  Co  Co4  1  0.501  0.501  0.168  1.0
  Co  Co5  1  0.504  0.496  0.854  1.0
  Co  Co6  1  0.497  0.498  0.484  1.0
  O  O7  1  0.326  0.325  0.321  1.0
  O  O8  1  0.674  0.678  0.011  1.0
  F  F9  1  0.206  0.794  0.167  1.0
  F  F10  1  0.190  0.804  0.826  1.0
  F  F11  1  0.217  0.822  0.504  1.0
  F  F12  1  0.276  0.275  0.003  1.0
  F  F13  1  0.315  0.297  0.674  1.0
  F  F14  1  0.681  0.700  0.667  1.0
  F  F15  1  0.722  0.722  0.327  1.0
  F  F16  1  0.795  0.207  0.166  1.0
  F  F17  1  0.782  0.170  0.826  1.0
  F  F18  1  0.813  0.209  0.503  1.0
[/CIF]
.
The structure described by LiCo6(OF5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(2), one F(5), one F(6), and one F(9) atom to form distorted LiF4 trigonal pyramids that share corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(6)OF5 octahedra, edges with two equivalent Co(3)F6 octahedra, and edges with two equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. 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, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. 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 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 44-56°. 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 four equivalent Co(5)OF5 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra,  an edgeedge with one Co(2)OF5 octahedra, and edges with two equivalent Li(1)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 42-60°. 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 corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. 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)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 42-59°. 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, corners with two equivalent Li(1)F4 trigonal pyramids,  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 42-60°. 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 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 T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded in a 4-coordinate 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 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 4-coordinate geometry to one Li(1), one Co(3), one Co(5), and one Co(6) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(1), 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 T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a 4-coordinate 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 card [CIF]
data_LiCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.826
_cell_length_c   9.414
_cell_angle_alpha   89.151
_cell_angle_beta   88.966
_cell_angle_gamma   92.336
_symmetry_Int_Tables_number   1
_cell_volume   220.704
_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  0.489  0.990  0.740  1.0
  Co  Co1  1  0.966  0.963  0.011  1.0
  Co  Co2  1  0.035  0.036  0.326  1.0
  Co  Co3  1  0.997  1.000  0.657  1.0
  Co  Co4  1  0.501  0.501  0.168  1.0
  Co  Co5  1  0.504  0.496  0.854  1.0
  Co  Co6  1  0.497  0.498  0.484  1.0
  O  O7  1  0.326  0.325  0.321  1.0
  O  O8  1  0.674  0.678  0.011  1.0
  F  F9  1  0.206  0.794  0.167  1.0
  F  F10  1  0.190  0.804  0.826  1.0
  F  F11  1  0.217  0.822  0.504  1.0
  F  F12  1  0.276  0.275  0.003  1.0
  F  F13  1  0.315  0.297  0.674  1.0
  F  F14  1  0.681  0.700  0.667  1.0
  F  F15  1  0.722  0.722  0.327  1.0
  F  F16  1  0.795  0.207  0.166  1.0
  F  F17  1  0.782  0.170  0.826  1.0
  F  F18  1  0.813  0.209  0.503  1.0
[/CIF]
.