The structure described by Li4Co3(OF3)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one F(2), one F(5), and two equivalent F(4) atoms to form LiO2F4 octahedra that share  a cornercorner with one Co(1)O2F4 octahedra, corners with three equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(3)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with three equivalent Li(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one F(1), one F(6), and two equivalent F(3) atoms to form LiO2F4 octahedra that share  a cornercorner with one Co(3)O2F4 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(1)O2F4 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with three equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(1) atoms to form LiOF5 octahedra that share corners with two equivalent Co(1)O2F4 octahedra, corners with three equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(1)O2F4 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fourth Li site, Li(4) is bonded to one O(2), one F(4), one F(5), one F(6), and two equivalent F(2) atoms to form LiOF5 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with three equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with four equivalent Li(3)OF5 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with four equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(4), one F(5), and one F(6) atom to form CoO2F4 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Co(1)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, edges with two equivalent Li(2)O2F4 octahedra, edges with two equivalent Li(4)OF5 octahedra, and edges with two equivalent Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(4) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with four equivalent Li(4)OF5 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with four equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(2), one F(3), one F(5), and one F(6) atom to form CoO2F4 octahedra that share corners with three equivalent Li(2)O2F4 octahedra, corners with three equivalent Li(4)OF5 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(1)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(4) atom to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one F(4)Li3Co2 square pyramid, corners with two equivalent F(1)Li3Co2 square pyramids, corners with two equivalent F(5)Li3Co2 square pyramids, edges with two equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(4)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid, edges with two equivalent F(1)Li3Co2 square pyramids, edges with two equivalent F(6)Li3Co2 square pyramids, and edges with three equivalent F(3)Li3Co2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Co(2), one Co(3), and one Co(4) atom to form OLi3Co3 octahedra that share  a cornercorner with one O(2)Li3Co3 octahedra,  a cornercorner with one F(3)Li3Co2 square pyramid, corners with two equivalent F(2)Li3Co2 square pyramids, corners with two equivalent F(6)Li3Co2 square pyramids, edges with two equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(3)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, edges with two equivalent F(2)Li3Co2 square pyramids, edges with two equivalent F(5)Li3Co2 square pyramids, and edges with three equivalent F(4)Li3Co2 square pyramids. The corner-sharing octahedra are not tilted. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(3), one Co(1), and one Co(2) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(1)Li3Co3 octahedra,  a cornercorner with one F(1)Li3Co2 square pyramid,  a cornercorner with one F(4)Li3Co2 square pyramid,  a cornercorner with one F(5)Li3Co2 square pyramid, corners with two equivalent F(3)Li3Co2 square pyramids, corners with two equivalent F(6)Li3Co2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, and edges with two equivalent F(3)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(4), one Co(3), and one Co(4) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(2)Li3Co3 octahedra,  a cornercorner with one F(2)Li3Co2 square pyramid,  a cornercorner with one F(3)Li3Co2 square pyramid,  a cornercorner with one F(6)Li3Co2 square pyramid, corners with two equivalent F(4)Li3Co2 square pyramids, corners with two equivalent F(5)Li3Co2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, and edges with two equivalent F(4)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. In the third F site, F(3) is bonded to one Li(3), two equivalent Li(2), one Co(1), and one Co(4) atom to form FLi3Co2 square pyramids that share  a cornercorner with one O(2)Li3Co3 octahedra,  a cornercorner with one F(2)Li3Co2 square pyramid,  a cornercorner with one F(3)Li3Co2 square pyramid, corners with two equivalent F(1)Li3Co2 square pyramids, corners with four equivalent F(6)Li3Co2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(3)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid, and edges with two equivalent F(1)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fourth F site, F(4) is bonded to one Li(4), two equivalent Li(1), one Co(2), and one Co(3) atom to form FLi3Co2 square pyramids that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one F(1)Li3Co2 square pyramid,  a cornercorner with one F(4)Li3Co2 square pyramid, corners with two equivalent F(2)Li3Co2 square pyramids, corners with four equivalent F(5)Li3Co2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(4)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, and edges with two equivalent F(2)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(4), one Co(2), and one Co(4) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(1)Li3Co3 octahedra,  a cornercorner with one F(1)Li3Co2 square pyramid, corners with two equivalent F(2)Li3Co2 square pyramids, corners with four equivalent F(4)Li3Co2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(3)Li3Co2 square pyramid, and edges with two equivalent F(6)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 9-12°. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), one Co(2), and one Co(4) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(2)Li3Co3 octahedra,  a cornercorner with one F(2)Li3Co2 square pyramid, corners with two equivalent F(1)Li3Co2 square pyramids, corners with four equivalent F(3)Li3Co2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(4)Li3Co2 square pyramid, and edges with two equivalent F(5)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 9-12°. is represented by the CIF file [CIF]
data_Li4Co3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   5.264
_cell_length_c   5.943
_cell_angle_alpha   72.167
_cell_angle_beta   89.022
_cell_angle_gamma   80.059
_symmetry_Int_Tables_number   1
_cell_volume   153.144
_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
  Co  Co0  1  0.250  0.500  0.875  1.0
  Co  Co1  1  0.747  0.495  0.109  1.0
  Co  Co2  1  0.753  0.505  0.641  1.0
  F  F3  1  0.112  0.209  0.184  1.0
  F  F4  1  0.388  0.791  0.566  1.0
  F  F5  1  0.381  0.767  0.046  1.0
  F  F6  1  0.119  0.233  0.704  1.0
  F  F7  1  0.835  0.749  0.307  1.0
  F  F8  1  0.665  0.251  0.443  1.0
  Li  Li9  1  0.988  0.980  0.002  1.0
  Li  Li10  1  0.512  0.020  0.748  1.0
  Li  Li11  1  0.483  0.001  0.236  1.0
  Li  Li12  1  0.017  0.999  0.514  1.0
  O  O13  1  0.602  0.272  0.932  1.0
  O  O14  1  0.898  0.728  0.818  1.0
[/CIF]
.
The structure described by Li4Co3(OF3)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one F(2), one F(5), and two equivalent F(4) atoms to form LiO2F4 octahedra that share  a cornercorner with one Co(1)O2F4 octahedra, corners with three equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(3)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with three equivalent Li(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one F(1), one F(6), and two equivalent F(3) atoms to form LiO2F4 octahedra that share  a cornercorner with one Co(3)O2F4 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(1)O2F4 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with three equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(1) atoms to form LiOF5 octahedra that share corners with two equivalent Co(1)O2F4 octahedra, corners with three equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(1)O2F4 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fourth Li site, Li(4) is bonded to one O(2), one F(4), one F(5), one F(6), and two equivalent F(2) atoms to form LiOF5 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with three equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with four equivalent Li(3)OF5 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with four equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(4), one F(5), and one F(6) atom to form CoO2F4 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Co(1)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, edges with two equivalent Li(2)O2F4 octahedra, edges with two equivalent Li(4)OF5 octahedra, and edges with two equivalent Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(4) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with four equivalent Li(4)OF5 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, edges with two equivalent Co(4)O2F4 octahedra, and edges with four equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(2), one F(3), one F(5), and one F(6) atom to form CoO2F4 octahedra that share corners with three equivalent Li(2)O2F4 octahedra, corners with three equivalent Li(4)OF5 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Co(1)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(4) atom to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one F(4)Li3Co2 square pyramid, corners with two equivalent F(1)Li3Co2 square pyramids, corners with two equivalent F(5)Li3Co2 square pyramids, edges with two equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(4)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid, edges with two equivalent F(1)Li3Co2 square pyramids, edges with two equivalent F(6)Li3Co2 square pyramids, and edges with three equivalent F(3)Li3Co2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Co(2), one Co(3), and one Co(4) atom to form OLi3Co3 octahedra that share  a cornercorner with one O(2)Li3Co3 octahedra,  a cornercorner with one F(3)Li3Co2 square pyramid, corners with two equivalent F(2)Li3Co2 square pyramids, corners with two equivalent F(6)Li3Co2 square pyramids, edges with two equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(3)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, edges with two equivalent F(2)Li3Co2 square pyramids, edges with two equivalent F(5)Li3Co2 square pyramids, and edges with three equivalent F(4)Li3Co2 square pyramids. The corner-sharing octahedra are not tilted. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(3), one Co(1), and one Co(2) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(1)Li3Co3 octahedra,  a cornercorner with one F(1)Li3Co2 square pyramid,  a cornercorner with one F(4)Li3Co2 square pyramid,  a cornercorner with one F(5)Li3Co2 square pyramid, corners with two equivalent F(3)Li3Co2 square pyramids, corners with two equivalent F(6)Li3Co2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, and edges with two equivalent F(3)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(4), one Co(3), and one Co(4) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(2)Li3Co3 octahedra,  a cornercorner with one F(2)Li3Co2 square pyramid,  a cornercorner with one F(3)Li3Co2 square pyramid,  a cornercorner with one F(6)Li3Co2 square pyramid, corners with two equivalent F(4)Li3Co2 square pyramids, corners with two equivalent F(5)Li3Co2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, and edges with two equivalent F(4)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. In the third F site, F(3) is bonded to one Li(3), two equivalent Li(2), one Co(1), and one Co(4) atom to form FLi3Co2 square pyramids that share  a cornercorner with one O(2)Li3Co3 octahedra,  a cornercorner with one F(2)Li3Co2 square pyramid,  a cornercorner with one F(3)Li3Co2 square pyramid, corners with two equivalent F(1)Li3Co2 square pyramids, corners with four equivalent F(6)Li3Co2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(3)Li3Co2 square pyramid,  an edgeedge with one F(5)Li3Co2 square pyramid, and edges with two equivalent F(1)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fourth F site, F(4) is bonded to one Li(4), two equivalent Li(1), one Co(2), and one Co(3) atom to form FLi3Co2 square pyramids that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one F(1)Li3Co2 square pyramid,  a cornercorner with one F(4)Li3Co2 square pyramid, corners with two equivalent F(2)Li3Co2 square pyramids, corners with four equivalent F(5)Li3Co2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(4)Li3Co2 square pyramid,  an edgeedge with one F(6)Li3Co2 square pyramid, and edges with two equivalent F(2)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(4), one Co(2), and one Co(4) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(1)Li3Co3 octahedra,  a cornercorner with one F(1)Li3Co2 square pyramid, corners with two equivalent F(2)Li3Co2 square pyramids, corners with four equivalent F(4)Li3Co2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(3)Li3Co2 square pyramid, and edges with two equivalent F(6)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 9-12°. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), one Co(2), and one Co(4) atom to form FLi3Co2 square pyramids that share corners with two equivalent O(2)Li3Co3 octahedra,  a cornercorner with one F(2)Li3Co2 square pyramid, corners with two equivalent F(1)Li3Co2 square pyramids, corners with four equivalent F(3)Li3Co2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra,  an edgeedge with one F(1)Li3Co2 square pyramid,  an edgeedge with one F(2)Li3Co2 square pyramid,  an edgeedge with one F(4)Li3Co2 square pyramid, and edges with two equivalent F(5)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 9-12°. is represented by the CIF file [CIF]
data_Li4Co3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   5.264
_cell_length_c   5.943
_cell_angle_alpha   72.167
_cell_angle_beta   89.022
_cell_angle_gamma   80.059
_symmetry_Int_Tables_number   1
_cell_volume   153.144
_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
  Co  Co0  1  0.250  0.500  0.875  1.0
  Co  Co1  1  0.747  0.495  0.109  1.0
  Co  Co2  1  0.753  0.505  0.641  1.0
  F  F3  1  0.112  0.209  0.184  1.0
  F  F4  1  0.388  0.791  0.566  1.0
  F  F5  1  0.381  0.767  0.046  1.0
  F  F6  1  0.119  0.233  0.704  1.0
  F  F7  1  0.835  0.749  0.307  1.0
  F  F8  1  0.665  0.251  0.443  1.0
  Li  Li9  1  0.988  0.980  0.002  1.0
  Li  Li10  1  0.512  0.020  0.748  1.0
  Li  Li11  1  0.483  0.001  0.236  1.0
  Li  Li12  1  0.017  0.999  0.514  1.0
  O  O13  1  0.602  0.272  0.932  1.0
  O  O14  1  0.898  0.728  0.818  1.0
[/CIF]
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