The material described by Li4Co3OF8 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(8) atoms to form LiF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Li(3)F6 octahedra, corners with two equivalent Co(3)F7 pentagonal bipyramids, corners with two equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(1)F6 octahedra, edges with three equivalent Li(3)F6 octahedra, and edges with three equivalent Co(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 15-57°. In the second Li site, Li(2) is bonded to one F(2), one F(7), two equivalent F(1), and two equivalent F(5) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Co(3)F7 pentagonal bipyramids, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with three equivalent Li(4)OF5 octahedra, and  an edgeedge with one Co(3)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 11-57°. In the third Li site, Li(3) is bonded to one F(4), one F(6), two equivalent F(3), and two equivalent F(8) atoms to form LiF6 octahedra that share  a cornercorner with one Co(2)O2F4 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with four equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(3)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, edges with two equivalent Co(3)F7 pentagonal bipyramids, and  an edgeedge with one Co(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 15-61°. In the fourth Li site, Li(4) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(7) atoms to form LiOF5 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(3)F7 pentagonal bipyramids, corners with two equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(4)OF5 octahedra, edges with three equivalent Li(2)F6 octahedra, and edges with three equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(6) atoms to form distorted CoO2F4 pentagonal pyramids that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Li(3)F6 octahedra, corners with four equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and faces with two equivalent Co(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 25-72°. In the second Co site, Co(2) is bonded to two equivalent O(1), one F(1), one F(6), and two equivalent F(7) atoms to form CoO2F4 octahedra that share  a cornercorner with one Li(3)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with three equivalent Li(4)OF5 octahedra, and  an edgeedge with one Co(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 7-61°. In the third Co site, Co(3) is bonded to one F(8), two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form distorted CoF7 pentagonal bipyramids that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Li(2)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra, edges with two equivalent Li(3)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, and faces with two equivalent Co(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 16-66°. O(1) is bonded to one Li(4), two equivalent Co(1), and two equivalent Co(2) atoms to form OLiCo4 trigonal bipyramids that share corners with four equivalent F(7)Li3Co2 square pyramids, corners with four equivalent F(6)LiCo3 tetrahedra,  a cornercorner with one F(5)Li3Co2 trigonal bipyramid, corners with two equivalent F(3)Li3Co2 trigonal bipyramids,  an edgeedge with one F(7)Li3Co2 square pyramid, edges with two equivalent F(1)Li4Co square pyramids,  an edgeedge with one F(6)LiCo3 tetrahedra,  an edgeedge with one F(3)Li3Co2 trigonal bipyramid, and edges with two equivalent O(1)LiCo4 trigonal bipyramids. There are eight inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(2), two equivalent Li(4), and one Co(2) atom to form FLi4Co square pyramids that share corners with two equivalent F(7)Li3Co2 square pyramids,  a cornercorner with one F(6)LiCo3 tetrahedra, corners with four equivalent F(5)Li3Co2 trigonal bipyramids, edges with two equivalent F(1)Li4Co square pyramids, edges with three equivalent F(7)Li3Co2 square pyramids,  an edgeedge with one F(5)Li3Co2 trigonal bipyramid, and edges with two equivalent O(1)LiCo4 trigonal bipyramids. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Co(3) atoms. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(3), and two equivalent Co(1) atoms to form distorted FLi3Co2 trigonal bipyramids that share corners with four equivalent F(8)Li4Co square pyramids, corners with four equivalent F(6)LiCo3 tetrahedra, corners with two equivalent O(1)LiCo4 trigonal bipyramids,  an edgeedge with one F(8)Li4Co square pyramid, edges with two equivalent F(4)Li3Co2 square pyramids,  an edgeedge with one F(6)LiCo3 tetrahedra,  an edgeedge with one O(1)LiCo4 trigonal bipyramid, and edges with two equivalent F(3)Li3Co2 trigonal bipyramids. In the fourth F site, F(4) is bonded to one Li(3), two equivalent Li(1), and two equivalent Co(3) atoms to form FLi3Co2 square pyramids that share corners with two equivalent F(8)Li4Co square pyramids,  a cornercorner with one F(6)LiCo3 tetrahedra, corners with two equivalent F(5)Li3Co2 trigonal bipyramids, edges with two equivalent F(4)Li3Co2 square pyramids, edges with three equivalent F(8)Li4Co square pyramids,  an edgeedge with one F(5)Li3Co2 trigonal bipyramid, and edges with two equivalent F(3)Li3Co2 trigonal bipyramids. In the fifth F site, F(5) is bonded to one Li(4), two equivalent Li(2), and two equivalent Co(3) atoms to form distorted FLi3Co2 trigonal bipyramids that share corners with two equivalent F(4)Li3Co2 square pyramids, corners with two equivalent F(8)Li4Co square pyramids, corners with four equivalent F(1)Li4Co square pyramids,  a cornercorner with one O(1)LiCo4 trigonal bipyramid,  an edgeedge with one F(4)Li3Co2 square pyramid,  an edgeedge with one F(1)Li4Co square pyramid, edges with two equivalent F(7)Li3Co2 square pyramids, and edges with two equivalent F(5)Li3Co2 trigonal bipyramids. In the sixth F site, F(6) is bonded to one Li(3), one Co(2), and two equivalent Co(1) atoms to form FLiCo3 tetrahedra that share  a cornercorner with one F(4)Li3Co2 square pyramid,  a cornercorner with one F(1)Li4Co square pyramid, corners with two equivalent F(7)Li3Co2 square pyramids, corners with two equivalent F(8)Li4Co square pyramids, corners with two equivalent F(6)LiCo3 tetrahedra, corners with four equivalent O(1)LiCo4 trigonal bipyramids, corners with four equivalent F(3)Li3Co2 trigonal bipyramids,  an edgeedge with one O(1)LiCo4 trigonal bipyramid, and  an edgeedge with one F(3)Li3Co2 trigonal bipyramid. In the seventh F site, F(7) is bonded to one Li(2), two equivalent Li(4), and two equivalent Co(2) atoms to form FLi3Co2 square pyramids that share corners with two equivalent F(1)Li4Co square pyramids, corners with two equivalent F(6)LiCo3 tetrahedra, corners with four equivalent O(1)LiCo4 trigonal bipyramids, edges with two equivalent F(7)Li3Co2 square pyramids, edges with three equivalent F(1)Li4Co square pyramids,  an edgeedge with one O(1)LiCo4 trigonal bipyramid, and edges with two equivalent F(5)Li3Co2 trigonal bipyramids. In the eighth F site, F(8) is bonded to two equivalent Li(1), two equivalent Li(3), and one Co(3) atom to form FLi4Co square pyramids that share corners with two equivalent F(4)Li3Co2 square pyramids, corners with two equivalent F(6)LiCo3 tetrahedra, corners with two equivalent F(5)Li3Co2 trigonal bipyramids, corners with four equivalent F(3)Li3Co2 trigonal bipyramids, edges with two equivalent F(8)Li4Co square pyramids, edges with three equivalent F(4)Li3Co2 square pyramids, and  an edgeedge with one F(3)Li3Co2 trigonal bipyramid. is represented by the CIF card [CIF]
data_Li4Co3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.096
_cell_length_c   11.518
_cell_angle_alpha   78.613
_cell_angle_beta   78.613
_cell_angle_gamma   32.660
_symmetry_Int_Tables_number   1
_cell_volume   157.993
_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  0.134  0.134  0.442  1.0
  Li  Li1  1  0.230  0.230  0.127  1.0
  Li  Li2  1  0.852  0.852  0.555  1.0
  Li  Li3  1  0.007  0.007  0.006  1.0
  Co  Co4  1  0.576  0.576  0.730  1.0
  Co  Co5  1  0.761  0.761  0.877  1.0
  Co  Co6  1  0.430  0.430  0.298  1.0
  O  O7  1  0.135  0.135  0.835  1.0
  F  F8  1  0.632  0.632  0.052  1.0
  F  F9  1  0.086  0.086  0.274  1.0
  F  F10  1  0.189  0.189  0.599  1.0
  F  F11  1  0.790  0.790  0.393  1.0
  F  F12  1  0.871  0.871  0.169  1.0
  F  F13  1  0.917  0.917  0.713  1.0
  F  F14  1  0.376  0.376  0.952  1.0
  F  F15  1  0.486  0.486  0.477  1.0
[/CIF]
.
The material described by Li4Co3OF8 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(8) atoms to form LiF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Li(3)F6 octahedra, corners with two equivalent Co(3)F7 pentagonal bipyramids, corners with two equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(1)F6 octahedra, edges with three equivalent Li(3)F6 octahedra, and edges with three equivalent Co(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 15-57°. In the second Li site, Li(2) is bonded to one F(2), one F(7), two equivalent F(1), and two equivalent F(5) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Co(3)F7 pentagonal bipyramids, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with three equivalent Li(4)OF5 octahedra, and  an edgeedge with one Co(3)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 11-57°. In the third Li site, Li(3) is bonded to one F(4), one F(6), two equivalent F(3), and two equivalent F(8) atoms to form LiF6 octahedra that share  a cornercorner with one Co(2)O2F4 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with four equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(3)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, edges with two equivalent Co(3)F7 pentagonal bipyramids, and  an edgeedge with one Co(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 15-61°. In the fourth Li site, Li(4) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(7) atoms to form LiOF5 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(3)F7 pentagonal bipyramids, corners with two equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(4)OF5 octahedra, edges with three equivalent Li(2)F6 octahedra, and edges with three equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(6) atoms to form distorted CoO2F4 pentagonal pyramids that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Li(3)F6 octahedra, corners with four equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and faces with two equivalent Co(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 25-72°. In the second Co site, Co(2) is bonded to two equivalent O(1), one F(1), one F(6), and two equivalent F(7) atoms to form CoO2F4 octahedra that share  a cornercorner with one Li(3)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Co(1)O2F4 pentagonal pyramids, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with three equivalent Li(4)OF5 octahedra, and  an edgeedge with one Co(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 7-61°. In the third Co site, Co(3) is bonded to one F(8), two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form distorted CoF7 pentagonal bipyramids that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(4)OF5 octahedra, corners with four equivalent Li(2)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra, edges with two equivalent Li(3)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, and faces with two equivalent Co(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 16-66°. O(1) is bonded to one Li(4), two equivalent Co(1), and two equivalent Co(2) atoms to form OLiCo4 trigonal bipyramids that share corners with four equivalent F(7)Li3Co2 square pyramids, corners with four equivalent F(6)LiCo3 tetrahedra,  a cornercorner with one F(5)Li3Co2 trigonal bipyramid, corners with two equivalent F(3)Li3Co2 trigonal bipyramids,  an edgeedge with one F(7)Li3Co2 square pyramid, edges with two equivalent F(1)Li4Co square pyramids,  an edgeedge with one F(6)LiCo3 tetrahedra,  an edgeedge with one F(3)Li3Co2 trigonal bipyramid, and edges with two equivalent O(1)LiCo4 trigonal bipyramids. There are eight inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(2), two equivalent Li(4), and one Co(2) atom to form FLi4Co square pyramids that share corners with two equivalent F(7)Li3Co2 square pyramids,  a cornercorner with one F(6)LiCo3 tetrahedra, corners with four equivalent F(5)Li3Co2 trigonal bipyramids, edges with two equivalent F(1)Li4Co square pyramids, edges with three equivalent F(7)Li3Co2 square pyramids,  an edgeedge with one F(5)Li3Co2 trigonal bipyramid, and edges with two equivalent O(1)LiCo4 trigonal bipyramids. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Co(3) atoms. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(3), and two equivalent Co(1) atoms to form distorted FLi3Co2 trigonal bipyramids that share corners with four equivalent F(8)Li4Co square pyramids, corners with four equivalent F(6)LiCo3 tetrahedra, corners with two equivalent O(1)LiCo4 trigonal bipyramids,  an edgeedge with one F(8)Li4Co square pyramid, edges with two equivalent F(4)Li3Co2 square pyramids,  an edgeedge with one F(6)LiCo3 tetrahedra,  an edgeedge with one O(1)LiCo4 trigonal bipyramid, and edges with two equivalent F(3)Li3Co2 trigonal bipyramids. In the fourth F site, F(4) is bonded to one Li(3), two equivalent Li(1), and two equivalent Co(3) atoms to form FLi3Co2 square pyramids that share corners with two equivalent F(8)Li4Co square pyramids,  a cornercorner with one F(6)LiCo3 tetrahedra, corners with two equivalent F(5)Li3Co2 trigonal bipyramids, edges with two equivalent F(4)Li3Co2 square pyramids, edges with three equivalent F(8)Li4Co square pyramids,  an edgeedge with one F(5)Li3Co2 trigonal bipyramid, and edges with two equivalent F(3)Li3Co2 trigonal bipyramids. In the fifth F site, F(5) is bonded to one Li(4), two equivalent Li(2), and two equivalent Co(3) atoms to form distorted FLi3Co2 trigonal bipyramids that share corners with two equivalent F(4)Li3Co2 square pyramids, corners with two equivalent F(8)Li4Co square pyramids, corners with four equivalent F(1)Li4Co square pyramids,  a cornercorner with one O(1)LiCo4 trigonal bipyramid,  an edgeedge with one F(4)Li3Co2 square pyramid,  an edgeedge with one F(1)Li4Co square pyramid, edges with two equivalent F(7)Li3Co2 square pyramids, and edges with two equivalent F(5)Li3Co2 trigonal bipyramids. In the sixth F site, F(6) is bonded to one Li(3), one Co(2), and two equivalent Co(1) atoms to form FLiCo3 tetrahedra that share  a cornercorner with one F(4)Li3Co2 square pyramid,  a cornercorner with one F(1)Li4Co square pyramid, corners with two equivalent F(7)Li3Co2 square pyramids, corners with two equivalent F(8)Li4Co square pyramids, corners with two equivalent F(6)LiCo3 tetrahedra, corners with four equivalent O(1)LiCo4 trigonal bipyramids, corners with four equivalent F(3)Li3Co2 trigonal bipyramids,  an edgeedge with one O(1)LiCo4 trigonal bipyramid, and  an edgeedge with one F(3)Li3Co2 trigonal bipyramid. In the seventh F site, F(7) is bonded to one Li(2), two equivalent Li(4), and two equivalent Co(2) atoms to form FLi3Co2 square pyramids that share corners with two equivalent F(1)Li4Co square pyramids, corners with two equivalent F(6)LiCo3 tetrahedra, corners with four equivalent O(1)LiCo4 trigonal bipyramids, edges with two equivalent F(7)Li3Co2 square pyramids, edges with three equivalent F(1)Li4Co square pyramids,  an edgeedge with one O(1)LiCo4 trigonal bipyramid, and edges with two equivalent F(5)Li3Co2 trigonal bipyramids. In the eighth F site, F(8) is bonded to two equivalent Li(1), two equivalent Li(3), and one Co(3) atom to form FLi4Co square pyramids that share corners with two equivalent F(4)Li3Co2 square pyramids, corners with two equivalent F(6)LiCo3 tetrahedra, corners with two equivalent F(5)Li3Co2 trigonal bipyramids, corners with four equivalent F(3)Li3Co2 trigonal bipyramids, edges with two equivalent F(8)Li4Co square pyramids, edges with three equivalent F(4)Li3Co2 square pyramids, and  an edgeedge with one F(3)Li3Co2 trigonal bipyramid. is represented by the CIF card [CIF]
data_Li4Co3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.096
_cell_length_c   11.518
_cell_angle_alpha   78.613
_cell_angle_beta   78.613
_cell_angle_gamma   32.660
_symmetry_Int_Tables_number   1
_cell_volume   157.993
_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  0.134  0.134  0.442  1.0
  Li  Li1  1  0.230  0.230  0.127  1.0
  Li  Li2  1  0.852  0.852  0.555  1.0
  Li  Li3  1  0.007  0.007  0.006  1.0
  Co  Co4  1  0.576  0.576  0.730  1.0
  Co  Co5  1  0.761  0.761  0.877  1.0
  Co  Co6  1  0.430  0.430  0.298  1.0
  O  O7  1  0.135  0.135  0.835  1.0
  F  F8  1  0.632  0.632  0.052  1.0
  F  F9  1  0.086  0.086  0.274  1.0
  F  F10  1  0.189  0.189  0.599  1.0
  F  F11  1  0.790  0.790  0.393  1.0
  F  F12  1  0.871  0.871  0.169  1.0
  F  F13  1  0.917  0.917  0.713  1.0
  F  F14  1  0.376  0.376  0.952  1.0
  F  F15  1  0.486  0.486  0.477  1.0
[/CIF]
.