The structure described by LiCoSO4F crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and one F(1) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(8), and one F(2) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(3)O4F2 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Co site, Co(4) is bonded to two equivalent O(6), two equivalent O(8), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra and corners with four equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(3)O4F2 octahedra, and corners with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second S site, S(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(3)O4F2 octahedra, and corners with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(3), and one S(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Co(4), and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one Co(4) atom. is represented by the CIF file [CIF]
data_LiCoSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.505
_cell_length_c   7.338
_cell_angle_alpha   107.692
_cell_angle_beta   108.134
_cell_angle_gamma   97.032
_symmetry_Int_Tables_number   1
_cell_volume   185.749
_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
  Co  Co0  1  0.000  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.117  0.909  0.755  1.0
  F  F3  1  0.883  0.091  0.245  1.0
  Li  Li4  1  0.266  0.626  0.787  1.0
  Li  Li5  1  0.734  0.374  0.213  1.0
  O  O6  1  0.606  0.753  0.407  1.0
  O  O7  1  0.394  0.247  0.593  1.0
  O  O8  1  0.109  0.656  0.339  1.0
  O  O9  1  0.891  0.344  0.661  1.0
  O  O10  1  0.319  0.353  0.143  1.0
  O  O11  1  0.681  0.647  0.857  1.0
  O  O12  1  0.276  0.765  0.090  1.0
  O  O13  1  0.724  0.235  0.910  1.0
  S  S14  1  0.326  0.636  0.246  1.0
  S  S15  1  0.674  0.364  0.754  1.0
[/CIF]
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The structure described by LiCoSO4F crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and one F(1) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(8), and one F(2) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(3)O4F2 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Co site, Co(4) is bonded to two equivalent O(6), two equivalent O(8), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra and corners with four equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(3)O4F2 octahedra, and corners with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second S site, S(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(3)O4F2 octahedra, and corners with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(3), and one S(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Co(4), and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one Co(4) atom. is represented by the CIF file [CIF]
data_LiCoSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.505
_cell_length_c   7.338
_cell_angle_alpha   107.692
_cell_angle_beta   108.134
_cell_angle_gamma   97.032
_symmetry_Int_Tables_number   1
_cell_volume   185.749
_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
  Co  Co0  1  0.000  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.117  0.909  0.755  1.0
  F  F3  1  0.883  0.091  0.245  1.0
  Li  Li4  1  0.266  0.626  0.787  1.0
  Li  Li5  1  0.734  0.374  0.213  1.0
  O  O6  1  0.606  0.753  0.407  1.0
  O  O7  1  0.394  0.247  0.593  1.0
  O  O8  1  0.109  0.656  0.339  1.0
  O  O9  1  0.891  0.344  0.661  1.0
  O  O10  1  0.319  0.353  0.143  1.0
  O  O11  1  0.681  0.647  0.857  1.0
  O  O12  1  0.276  0.765  0.090  1.0
  O  O13  1  0.724  0.235  0.910  1.0
  S  S14  1  0.326  0.636  0.246  1.0
  S  S15  1  0.674  0.364  0.754  1.0
[/CIF]
.