The material described by Li3Co8(OF3)4 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one F(2), two equivalent F(1), and two equivalent F(8) atoms to form LiOF5 octahedra that share  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with four equivalent Co(1)O3F3 octahedra. In the second Li site, Li(2) is bonded to one F(4), one F(7), and two equivalent F(3) atoms to form LiF4 tetrahedra that share  a cornercorner with one Co(5)OF5 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(4)O2F4 octahedra, and corners with four equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(2), one F(5), and two equivalent F(6) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Co(3)O2F4 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(5)OF5 octahedra, and corners with four equivalent Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-65°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(8) atom to form CoO3F3 octahedra that share corners with three equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Li(1)OF5 octahedra, and edges with two equivalent Co(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form CoO2F4 octahedra that share corners with three equivalent Co(1)O3F3 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the third Co site, Co(3) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra, edges with two equivalent Co(1)O3F3 octahedra, and edges with four equivalent Co(2)O2F4 octahedra. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one F(5), one F(6), one F(7), and one F(8) atom to form CoO2F4 octahedra that share corners with three equivalent Co(1)O3F3 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with two equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fifth Co site, Co(5) is bonded to one O(4), one F(7), two equivalent F(6), and two equivalent F(8) atoms to form CoOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra, edges with two equivalent Co(1)O3F3 octahedra, and edges with four equivalent Co(4)O2F4 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form OCo5 square pyramids that share corners with two equivalent O(4)Co5 square pyramids, corners with three equivalent O(2)LiCo3 tetrahedra,  an edgeedge with one O(3)LiCo4 square pyramid, and edges with two equivalent F(2)LiCo4 square pyramids. In the second O site, O(2) is bonded to one Li(3), one Co(3), and two equivalent Co(2) atoms to form OLiCo3 tetrahedra that share corners with three equivalent O(1)Co5 square pyramids and  an edgeedge with one F(2)LiCo4 square pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(1), and two equivalent Co(4) atoms to form OLiCo4 square pyramids that share corners with three equivalent F(2)LiCo4 square pyramids,  an edgeedge with one O(1)Co5 square pyramid, edges with two equivalent O(4)Co5 square pyramids, and  an edgeedge with one F(7)LiCo3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Co(5), two equivalent Co(1), and two equivalent Co(4) atoms to form OCo5 square pyramids that share corners with two equivalent O(1)Co5 square pyramids, corners with three equivalent F(7)LiCo3 trigonal pyramids,  an edgeedge with one F(2)LiCo4 square pyramid, and edges with two equivalent O(3)LiCo4 square pyramids. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded to one Li(1), two equivalent Co(1), and two equivalent Co(2) atoms to form FLiCo4 square pyramids that share corners with three equivalent O(3)LiCo4 square pyramids,  an edgeedge with one O(4)Co5 square pyramid, edges with two equivalent O(1)Co5 square pyramids, and  an edgeedge with one O(2)LiCo3 tetrahedra. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Co(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(3) and two equivalent Co(4) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one Co(5) atom. In the seventh F site, F(7) is bonded to one Li(2), one Co(5), and two equivalent Co(4) atoms to form distorted FLiCo3 trigonal pyramids that share corners with three equivalent O(4)Co5 square pyramids and  an edgeedge with one O(3)LiCo4 square pyramid. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom. is represented by the CIF card [CIF]
data_Li3Co8(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   10.345
_cell_angle_alpha   72.423
_cell_angle_beta   72.423
_cell_angle_gamma   59.591
_symmetry_Int_Tables_number   1
_cell_volume   313.257
_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  1.000  1.000  0.005  1.0
  Li  Li1  1  0.815  0.815  0.565  1.0
  Li  Li2  1  0.193  0.193  0.434  1.0
  Co  Co3  1  0.006  0.478  0.010  1.0
  Co  Co4  1  0.478  0.006  0.010  1.0
  Co  Co5  1  0.261  0.747  0.740  1.0
  Co  Co6  1  0.251  0.251  0.735  1.0
  Co  Co7  1  0.747  0.261  0.740  1.0
  Co  Co8  1  0.259  0.758  0.245  1.0
  Co  Co9  1  0.758  0.259  0.245  1.0
  Co  Co10  1  0.743  0.743  0.263  1.0
  O  O11  1  0.356  0.356  0.857  1.0
  O  O12  1  0.125  0.125  0.650  1.0
  O  O13  1  0.118  0.118  0.121  1.0
  O  O14  1  0.642  0.642  0.129  1.0
  F  F15  1  0.350  0.896  0.873  1.0
  F  F16  1  0.896  0.350  0.873  1.0
  F  F17  1  0.881  0.881  0.883  1.0
  F  F18  1  0.124  0.617  0.636  1.0
  F  F19  1  0.624  0.624  0.639  1.0
  F  F20  1  0.617  0.124  0.636  1.0
  F  F21  1  0.387  0.387  0.349  1.0
  F  F22  1  0.374  0.875  0.369  1.0
  F  F23  1  0.879  0.879  0.368  1.0
  F  F24  1  0.875  0.374  0.369  1.0
  F  F25  1  0.101  0.653  0.125  1.0
  F  F26  1  0.653  0.101  0.125  1.0
[/CIF]
.
The material described by Li3Co8(OF3)4 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one F(2), two equivalent F(1), and two equivalent F(8) atoms to form LiOF5 octahedra that share  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with four equivalent Co(1)O3F3 octahedra. In the second Li site, Li(2) is bonded to one F(4), one F(7), and two equivalent F(3) atoms to form LiF4 tetrahedra that share  a cornercorner with one Co(5)OF5 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(4)O2F4 octahedra, and corners with four equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(2), one F(5), and two equivalent F(6) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Co(3)O2F4 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(5)OF5 octahedra, and corners with four equivalent Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-65°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(8) atom to form CoO3F3 octahedra that share corners with three equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Li(1)OF5 octahedra, and edges with two equivalent Co(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form CoO2F4 octahedra that share corners with three equivalent Co(1)O3F3 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the third Co site, Co(3) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra, edges with two equivalent Co(1)O3F3 octahedra, and edges with four equivalent Co(2)O2F4 octahedra. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one F(5), one F(6), one F(7), and one F(8) atom to form CoO2F4 octahedra that share corners with three equivalent Co(1)O3F3 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with two equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fifth Co site, Co(5) is bonded to one O(4), one F(7), two equivalent F(6), and two equivalent F(8) atoms to form CoOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Li(1)OF5 octahedra, edges with two equivalent Co(1)O3F3 octahedra, and edges with four equivalent Co(4)O2F4 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form OCo5 square pyramids that share corners with two equivalent O(4)Co5 square pyramids, corners with three equivalent O(2)LiCo3 tetrahedra,  an edgeedge with one O(3)LiCo4 square pyramid, and edges with two equivalent F(2)LiCo4 square pyramids. In the second O site, O(2) is bonded to one Li(3), one Co(3), and two equivalent Co(2) atoms to form OLiCo3 tetrahedra that share corners with three equivalent O(1)Co5 square pyramids and  an edgeedge with one F(2)LiCo4 square pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(1), and two equivalent Co(4) atoms to form OLiCo4 square pyramids that share corners with three equivalent F(2)LiCo4 square pyramids,  an edgeedge with one O(1)Co5 square pyramid, edges with two equivalent O(4)Co5 square pyramids, and  an edgeedge with one F(7)LiCo3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Co(5), two equivalent Co(1), and two equivalent Co(4) atoms to form OCo5 square pyramids that share corners with two equivalent O(1)Co5 square pyramids, corners with three equivalent F(7)LiCo3 trigonal pyramids,  an edgeedge with one F(2)LiCo4 square pyramid, and edges with two equivalent O(3)LiCo4 square pyramids. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded to one Li(1), two equivalent Co(1), and two equivalent Co(2) atoms to form FLiCo4 square pyramids that share corners with three equivalent O(3)LiCo4 square pyramids,  an edgeedge with one O(4)Co5 square pyramid, edges with two equivalent O(1)Co5 square pyramids, and  an edgeedge with one O(2)LiCo3 tetrahedra. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Co(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(3) and two equivalent Co(4) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one Co(5) atom. In the seventh F site, F(7) is bonded to one Li(2), one Co(5), and two equivalent Co(4) atoms to form distorted FLiCo3 trigonal pyramids that share corners with three equivalent O(4)Co5 square pyramids and  an edgeedge with one O(3)LiCo4 square pyramid. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom. is represented by the CIF card [CIF]
data_Li3Co8(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   10.345
_cell_angle_alpha   72.423
_cell_angle_beta   72.423
_cell_angle_gamma   59.591
_symmetry_Int_Tables_number   1
_cell_volume   313.257
_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  1.000  1.000  0.005  1.0
  Li  Li1  1  0.815  0.815  0.565  1.0
  Li  Li2  1  0.193  0.193  0.434  1.0
  Co  Co3  1  0.006  0.478  0.010  1.0
  Co  Co4  1  0.478  0.006  0.010  1.0
  Co  Co5  1  0.261  0.747  0.740  1.0
  Co  Co6  1  0.251  0.251  0.735  1.0
  Co  Co7  1  0.747  0.261  0.740  1.0
  Co  Co8  1  0.259  0.758  0.245  1.0
  Co  Co9  1  0.758  0.259  0.245  1.0
  Co  Co10  1  0.743  0.743  0.263  1.0
  O  O11  1  0.356  0.356  0.857  1.0
  O  O12  1  0.125  0.125  0.650  1.0
  O  O13  1  0.118  0.118  0.121  1.0
  O  O14  1  0.642  0.642  0.129  1.0
  F  F15  1  0.350  0.896  0.873  1.0
  F  F16  1  0.896  0.350  0.873  1.0
  F  F17  1  0.881  0.881  0.883  1.0
  F  F18  1  0.124  0.617  0.636  1.0
  F  F19  1  0.624  0.624  0.639  1.0
  F  F20  1  0.617  0.124  0.636  1.0
  F  F21  1  0.387  0.387  0.349  1.0
  F  F22  1  0.374  0.875  0.369  1.0
  F  F23  1  0.879  0.879  0.368  1.0
  F  F24  1  0.875  0.374  0.369  1.0
  F  F25  1  0.101  0.653  0.125  1.0
  F  F26  1  0.653  0.101  0.125  1.0
[/CIF]
.