The compound described by Li4Co3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(10), one F(4), one F(5), and one F(7) atom. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Co(1)F6 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-60°. In the third Li site, Li(3) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Co(1)F6 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Li(2)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Li site, Li(4) is bonded in a 7-coordinate geometry to one F(1), one F(10), one F(11), one F(4), one F(6), one F(7), and one F(9) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(11), one F(2), one F(3), one F(5), one F(7), and one F(9) atom to form distorted CoF6 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Li(2)F6 pentagonal pyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Li(2)F6 pentagonal pyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-58°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(3), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with two equivalent Co(3)OF5 octahedra, corners with two equivalent Li(2)F6 pentagonal pyramids, and corners with two equivalent Li(3)F6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 38-58°. In the third Co site, Co(3) is bonded to one O(1), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form distorted CoOF5 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Li(2)F6 pentagonal pyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Li(2)F6 pentagonal pyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-54°. O(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one Co(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one Co(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(4), and one Co(3) atom to form a mixture of corner and edge-sharing FLi3Co tetrahedra. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Li(3), and one Co(1) atom to form a mixture of corner and edge-sharing FLi3Co tetrahedra. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one Co(3) atom to form a mixture of corner and edge-sharing FLi3Co tetrahedra. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Co(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one Co(3) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one Co(1), and one Co(3) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one Co(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.956
_cell_length_c   6.225
_cell_angle_alpha   99.746
_cell_angle_beta   100.089
_cell_angle_gamma   98.836
_symmetry_Int_Tables_number   1
_cell_volume   205.372
_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  0.683  0.428  0.875  1.0
  Li  Li1  1  0.144  0.349  0.608  1.0
  Li  Li2  1  0.876  0.667  0.393  1.0
  Li  Li3  1  0.305  0.574  0.123  1.0
  Co  Co4  1  0.601  0.155  0.341  1.0
  Co  Co5  1  0.978  0.997  0.989  1.0
  Co  Co6  1  0.409  0.849  0.670  1.0
  O  O7  1  0.661  0.010  0.869  1.0
  F  F8  1  0.089  0.292  0.948  1.0
  F  F9  1  0.382  0.153  0.551  1.0
  F  F10  1  0.924  0.136  0.289  1.0
  F  F11  1  0.406  0.579  0.823  1.0
  F  F12  1  0.801  0.393  0.587  1.0
  F  F13  1  0.212  0.607  0.419  1.0
  F  F14  1  0.585  0.403  0.184  1.0
  F  F15  1  0.071  0.869  0.711  1.0
  F  F16  1  0.627  0.853  0.429  1.0
  F  F17  1  0.918  0.703  0.062  1.0
  F  F18  1  0.329  0.982  0.130  1.0
[/CIF]
.
The compound described by Li4Co3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(10), one F(4), one F(5), and one F(7) atom. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Co(1)F6 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-60°. In the third Li site, Li(3) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Co(1)F6 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Li(2)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Li site, Li(4) is bonded in a 7-coordinate geometry to one F(1), one F(10), one F(11), one F(4), one F(6), one F(7), and one F(9) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(11), one F(2), one F(3), one F(5), one F(7), and one F(9) atom to form distorted CoF6 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Li(2)F6 pentagonal pyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Li(2)F6 pentagonal pyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-58°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(3), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with two equivalent Co(3)OF5 octahedra, corners with two equivalent Li(2)F6 pentagonal pyramids, and corners with two equivalent Li(3)F6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 38-58°. In the third Co site, Co(3) is bonded to one O(1), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form distorted CoOF5 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Li(2)F6 pentagonal pyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Li(2)F6 pentagonal pyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-54°. O(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one Co(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one Co(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(4), and one Co(3) atom to form a mixture of corner and edge-sharing FLi3Co tetrahedra. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Li(3), and one Co(1) atom to form a mixture of corner and edge-sharing FLi3Co tetrahedra. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one Co(3) atom to form a mixture of corner and edge-sharing FLi3Co tetrahedra. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Co(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one Co(3) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one Co(1), and one Co(3) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one Co(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.956
_cell_length_c   6.225
_cell_angle_alpha   99.746
_cell_angle_beta   100.089
_cell_angle_gamma   98.836
_symmetry_Int_Tables_number   1
_cell_volume   205.372
_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  0.683  0.428  0.875  1.0
  Li  Li1  1  0.144  0.349  0.608  1.0
  Li  Li2  1  0.876  0.667  0.393  1.0
  Li  Li3  1  0.305  0.574  0.123  1.0
  Co  Co4  1  0.601  0.155  0.341  1.0
  Co  Co5  1  0.978  0.997  0.989  1.0
  Co  Co6  1  0.409  0.849  0.670  1.0
  O  O7  1  0.661  0.010  0.869  1.0
  F  F8  1  0.089  0.292  0.948  1.0
  F  F9  1  0.382  0.153  0.551  1.0
  F  F10  1  0.924  0.136  0.289  1.0
  F  F11  1  0.406  0.579  0.823  1.0
  F  F12  1  0.801  0.393  0.587  1.0
  F  F13  1  0.212  0.607  0.419  1.0
  F  F14  1  0.585  0.403  0.184  1.0
  F  F15  1  0.071  0.869  0.711  1.0
  F  F16  1  0.627  0.853  0.429  1.0
  F  F17  1  0.918  0.703  0.062  1.0
  F  F18  1  0.329  0.982  0.130  1.0
[/CIF]
.