The compound described by Li8CoO5F crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one F(1) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(5), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(8), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(8), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted pentagonal pyramidal geometry to one Li(2), one Li(3), one Li(5), one Li(7), one Li(8), and one Co(1) atom. F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Li(6), one Li(7), and one Li(8) atom. is represented by the CIF card [CIF]
data_Li8CoO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.554
_cell_length_c   5.796
_cell_angle_alpha   93.828
_cell_angle_beta   112.098
_cell_angle_gamma   116.115
_symmetry_Int_Tables_number   1
_cell_volume   136.190
_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  0.921  0.956  0.959  1.0
  F  F1  1  0.557  0.425  0.278  1.0
  Li  Li2  1  0.259  0.475  0.359  1.0
  Li  Li3  1  0.132  0.236  0.665  1.0
  Li  Li4  1  0.403  0.892  0.638  1.0
  Li  Li5  1  0.751  0.373  0.035  1.0
  Li  Li6  1  0.274  0.668  0.960  1.0
  Li  Li7  1  0.571  0.088  0.342  1.0
  Li  Li8  1  0.902  0.793  0.363  1.0
  Li  Li9  1  0.749  0.513  0.648  1.0
  O  O10  1  0.499  0.604  0.763  1.0
  O  O11  1  0.890  0.105  0.242  1.0
  O  O12  1  0.169  0.752  0.238  1.0
  O  O13  1  0.812  0.221  0.750  1.0
  O  O14  1  0.111  0.899  0.759  1.0
[/CIF]
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The compound described by Li8CoO5F crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one F(1) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(5), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(8), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(8), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted pentagonal pyramidal geometry to one Li(2), one Li(3), one Li(5), one Li(7), one Li(8), and one Co(1) atom. F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Li(6), one Li(7), and one Li(8) atom. is represented by the CIF card [CIF]
data_Li8CoO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.554
_cell_length_c   5.796
_cell_angle_alpha   93.828
_cell_angle_beta   112.098
_cell_angle_gamma   116.115
_symmetry_Int_Tables_number   1
_cell_volume   136.190
_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  0.921  0.956  0.959  1.0
  F  F1  1  0.557  0.425  0.278  1.0
  Li  Li2  1  0.259  0.475  0.359  1.0
  Li  Li3  1  0.132  0.236  0.665  1.0
  Li  Li4  1  0.403  0.892  0.638  1.0
  Li  Li5  1  0.751  0.373  0.035  1.0
  Li  Li6  1  0.274  0.668  0.960  1.0
  Li  Li7  1  0.571  0.088  0.342  1.0
  Li  Li8  1  0.902  0.793  0.363  1.0
  Li  Li9  1  0.749  0.513  0.648  1.0
  O  O10  1  0.499  0.604  0.763  1.0
  O  O11  1  0.890  0.105  0.242  1.0
  O  O12  1  0.169  0.752  0.238  1.0
  O  O13  1  0.812  0.221  0.750  1.0
  O  O14  1  0.111  0.899  0.759  1.0
[/CIF]
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