The compound described by Li8CoO5F crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(16)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(3)O3F trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(15)O3F trigonal pyramids, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(9), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(12)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(10)O3F tetrahedra, corners with three equivalent Li(11)O3F tetrahedra,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(14)O3F trigonal pyramid,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Co(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(14)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(6), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(13)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the seventh Li site, Li(7) is bonded to one O(4), one O(6), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(16)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(3)O3F trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. In the eighth Li site, Li(8) is bonded to one O(3), one O(5), one O(6), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(15)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(4), one O(8), one O(9), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(12)O3F trigonal pyramids, corners with three equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(3), one O(5), one O(7), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(11)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(14)O3F trigonal pyramid,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one O(3), one O(5), one O(8), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(10)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(14)O3F trigonal pyramid,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the twelfth Li site, Li(12) is bonded to one O(4), one O(7), one O(9), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the fourteenth Li site, Li(14) is bonded to one O(2), one O(7), one O(8), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. In the fifteenth Li site, Li(15) is bonded to one O(10), one O(3), one O(5), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the sixteenth Li site, Li(16) is bonded to one O(10), one O(4), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(3)O3F trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra, corners with three equivalent Li(13)O4 tetrahedra, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(14)O3F trigonal pyramids,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(3)O3F trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(13), one Li(2), one Li(6), and one Co(1) atom to form OLi4Co trigonal bipyramids that share  a cornercorner with one O(4)Li6Co pentagonal bipyramid, corners with three equivalent O(10)Li4Co trigonal bipyramids, and corners with three equivalent O(6)Li4Co trigonal bipyramids. In the second O site, O(2) is bonded to one Li(14), one Li(3), one Li(4), one Li(5), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(7)Li4Co trigonal bipyramids, corners with three equivalent O(8)Li4Co trigonal bipyramids, and  an edgeedge with one O(4)Li6Co pentagonal bipyramid. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(15), one Li(2), one Li(4), one Li(5), and one Li(8) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(12), one Li(16), one Li(3), one Li(7), one Li(9), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLi6Co pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(15), one Li(2), one Li(4), one Li(8), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(13), one Li(6), one Li(7), one Li(8), and one Co(1) atom to form OLi4Co trigonal bipyramids that share  a cornercorner with one O(4)Li6Co pentagonal bipyramid, corners with three equivalent O(1)Li4Co trigonal bipyramids, and corners with three equivalent O(10)Li4Co trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(10), one Li(12), one Li(14), one Li(5), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(2)Li4Co trigonal bipyramids, corners with three equivalent O(8)Li4Co trigonal bipyramids, and  an edgeedge with one O(4)Li6Co pentagonal bipyramid. In the eighth O site, O(8) is bonded to one Li(11), one Li(14), one Li(5), one Li(9), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(2)Li4Co trigonal bipyramids, corners with three equivalent O(7)Li4Co trigonal bipyramids, and  an edgeedge with one O(4)Li6Co pentagonal bipyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(12), one Li(13), one Li(16), one Li(3), one Li(7), and one Li(9) atom. In the tenth O site, O(10) is bonded to one Li(13), one Li(15), one Li(16), one Li(6), and one Co(1) atom to form OLi4Co trigonal bipyramids that share  a cornercorner with one O(4)Li6Co pentagonal bipyramid, corners with three equivalent O(1)Li4Co trigonal bipyramids, and corners with three equivalent O(6)Li4Co trigonal bipyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(12), one Li(16), one Li(3), one Li(6), one Li(7), and one Li(9) atom. In the second F site, F(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(14), one Li(15), one Li(2), one Li(4), and one Li(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8CoO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.574
_cell_length_c   10.939
_cell_angle_alpha   90.362
_cell_angle_beta   89.834
_cell_angle_gamma   119.554
_symmetry_Int_Tables_number   1
_cell_volume   294.890
_cell_formula_units_Z   2
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  0.686  0.976  0.228  1.0
  Li  Li1  1  0.638  0.021  0.879  1.0
  Li  Li2  1  0.357  0.978  0.381  1.0
  Li  Li3  1  0.312  0.023  0.727  1.0
  Li  Li4  1  0.664  0.328  0.587  1.0
  Li  Li5  1  0.670  0.332  0.076  1.0
  Li  Li6  1  0.289  0.310  0.228  1.0
  Li  Li7  1  0.386  0.367  0.878  1.0
  Li  Li8  1  0.616  0.635  0.378  1.0
  Li  Li9  1  0.980  0.291  0.728  1.0
  Li  Li10  1  0.714  0.689  0.727  1.0
  Li  Li11  1  0.020  0.385  0.378  1.0
  Li  Li12  1  0.330  0.665  0.087  1.0
  Li  Li13  1  0.337  0.670  0.576  1.0
  Li  Li14  1  0.980  0.620  0.881  1.0
  Li  Li15  1  0.023  0.713  0.227  1.0
  Co  Co16  1  0.002  0.007  0.012  1.0
  Co  Co17  1  0.992  1.000  0.512  1.0
  O  O18  1  0.675  0.994  0.052  1.0
  O  O19  1  0.321  0.998  0.553  1.0
  O  O20  1  0.668  0.335  0.787  1.0
  O  O21  1  0.998  0.002  0.328  1.0
  O  O22  1  0.002  0.003  0.828  1.0
  O  O23  1  0.323  0.318  0.051  1.0
  O  O24  1  0.009  0.326  0.552  1.0
  O  O25  1  0.683  0.676  0.551  1.0
  O  O26  1  0.332  0.665  0.287  1.0
  O  O27  1  0.994  0.676  0.053  1.0
  F  F28  1  0.665  0.333  0.289  1.0
  F  F29  1  0.336  0.666  0.789  1.0
[/CIF]
.
The compound described by Li8CoO5F crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(16)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(3)O3F trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(15)O3F trigonal pyramids, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(9), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(12)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(10)O3F tetrahedra, corners with three equivalent Li(11)O3F tetrahedra,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(14)O3F trigonal pyramid,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Co(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(14)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(6), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(13)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the seventh Li site, Li(7) is bonded to one O(4), one O(6), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(16)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(3)O3F trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. In the eighth Li site, Li(8) is bonded to one O(3), one O(5), one O(6), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(15)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(4), one O(8), one O(9), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(12)O3F trigonal pyramids, corners with three equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(3), one O(5), one O(7), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(11)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(14)O3F trigonal pyramid,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one O(3), one O(5), one O(8), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(10)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(14)O3F trigonal pyramid,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the twelfth Li site, Li(12) is bonded to one O(4), one O(7), one O(9), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(3)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Co(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the fourteenth Li site, Li(14) is bonded to one O(2), one O(7), one O(8), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. In the fifteenth Li site, Li(15) is bonded to one O(10), one O(3), one O(5), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(14)O3F trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the sixteenth Li site, Li(16) is bonded to one O(10), one O(4), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(15)O3F trigonal pyramid,  a cornercorner with one Li(3)O3F trigonal pyramid,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(3)O3F trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra, corners with three equivalent Li(13)O4 tetrahedra, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(15)O3F trigonal pyramid, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(7)O3F tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(14)O3F trigonal pyramids,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(3)O3F trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(13), one Li(2), one Li(6), and one Co(1) atom to form OLi4Co trigonal bipyramids that share  a cornercorner with one O(4)Li6Co pentagonal bipyramid, corners with three equivalent O(10)Li4Co trigonal bipyramids, and corners with three equivalent O(6)Li4Co trigonal bipyramids. In the second O site, O(2) is bonded to one Li(14), one Li(3), one Li(4), one Li(5), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(7)Li4Co trigonal bipyramids, corners with three equivalent O(8)Li4Co trigonal bipyramids, and  an edgeedge with one O(4)Li6Co pentagonal bipyramid. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(15), one Li(2), one Li(4), one Li(5), and one Li(8) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(12), one Li(16), one Li(3), one Li(7), one Li(9), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLi6Co pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(15), one Li(2), one Li(4), one Li(8), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(13), one Li(6), one Li(7), one Li(8), and one Co(1) atom to form OLi4Co trigonal bipyramids that share  a cornercorner with one O(4)Li6Co pentagonal bipyramid, corners with three equivalent O(1)Li4Co trigonal bipyramids, and corners with three equivalent O(10)Li4Co trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(10), one Li(12), one Li(14), one Li(5), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(2)Li4Co trigonal bipyramids, corners with three equivalent O(8)Li4Co trigonal bipyramids, and  an edgeedge with one O(4)Li6Co pentagonal bipyramid. In the eighth O site, O(8) is bonded to one Li(11), one Li(14), one Li(5), one Li(9), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(2)Li4Co trigonal bipyramids, corners with three equivalent O(7)Li4Co trigonal bipyramids, and  an edgeedge with one O(4)Li6Co pentagonal bipyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(12), one Li(13), one Li(16), one Li(3), one Li(7), and one Li(9) atom. In the tenth O site, O(10) is bonded to one Li(13), one Li(15), one Li(16), one Li(6), and one Co(1) atom to form OLi4Co trigonal bipyramids that share  a cornercorner with one O(4)Li6Co pentagonal bipyramid, corners with three equivalent O(1)Li4Co trigonal bipyramids, and corners with three equivalent O(6)Li4Co trigonal bipyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(12), one Li(16), one Li(3), one Li(6), one Li(7), and one Li(9) atom. In the second F site, F(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(14), one Li(15), one Li(2), one Li(4), and one Li(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8CoO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.574
_cell_length_c   10.939
_cell_angle_alpha   90.362
_cell_angle_beta   89.834
_cell_angle_gamma   119.554
_symmetry_Int_Tables_number   1
_cell_volume   294.890
_cell_formula_units_Z   2
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  0.686  0.976  0.228  1.0
  Li  Li1  1  0.638  0.021  0.879  1.0
  Li  Li2  1  0.357  0.978  0.381  1.0
  Li  Li3  1  0.312  0.023  0.727  1.0
  Li  Li4  1  0.664  0.328  0.587  1.0
  Li  Li5  1  0.670  0.332  0.076  1.0
  Li  Li6  1  0.289  0.310  0.228  1.0
  Li  Li7  1  0.386  0.367  0.878  1.0
  Li  Li8  1  0.616  0.635  0.378  1.0
  Li  Li9  1  0.980  0.291  0.728  1.0
  Li  Li10  1  0.714  0.689  0.727  1.0
  Li  Li11  1  0.020  0.385  0.378  1.0
  Li  Li12  1  0.330  0.665  0.087  1.0
  Li  Li13  1  0.337  0.670  0.576  1.0
  Li  Li14  1  0.980  0.620  0.881  1.0
  Li  Li15  1  0.023  0.713  0.227  1.0
  Co  Co16  1  0.002  0.007  0.012  1.0
  Co  Co17  1  0.992  1.000  0.512  1.0
  O  O18  1  0.675  0.994  0.052  1.0
  O  O19  1  0.321  0.998  0.553  1.0
  O  O20  1  0.668  0.335  0.787  1.0
  O  O21  1  0.998  0.002  0.328  1.0
  O  O22  1  0.002  0.003  0.828  1.0
  O  O23  1  0.323  0.318  0.051  1.0
  O  O24  1  0.009  0.326  0.552  1.0
  O  O25  1  0.683  0.676  0.551  1.0
  O  O26  1  0.332  0.665  0.287  1.0
  O  O27  1  0.994  0.676  0.053  1.0
  F  F28  1  0.665  0.333  0.289  1.0
  F  F29  1  0.336  0.666  0.789  1.0
[/CIF]
.