The structure described by K2LiS2(O2F)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(1), one F(1), and two equivalent F(2) atoms. Li(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one F(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one O(2) and one O(3) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one F(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one K(2), one Li(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2) and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Li(1) atom. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one S(2) atom to form distorted corner-sharing FK3S tetrahedra. is represented by the CIF card [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.547
_cell_length_b   5.878
_cell_length_c   9.207
_cell_angle_alpha   100.417
_cell_angle_beta   113.966
_cell_angle_gamma   86.918
_symmetry_Int_Tables_number   1
_cell_volume   221.084
_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
  K  K0  1  0.646  0.719  0.411  1.0
  K  K1  1  0.378  0.217  0.698  1.0
  Li  Li2  1  0.924  0.905  0.189  1.0
  S  S3  1  0.989  0.345  0.086  1.0
  S  S4  1  0.029  0.749  0.833  1.0
  O  O5  1  0.928  0.935  0.734  1.0
  O  O6  1  0.958  0.571  0.192  1.0
  O  O7  1  0.757  0.157  0.073  1.0
  O  O8  1  0.365  0.684  0.871  1.0
  F  F9  1  0.147  0.983  0.405  1.0
  F  F10  1  0.824  0.494  0.664  1.0
[/CIF]
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The structure described by K2LiS2(O2F)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(1), one F(1), and two equivalent F(2) atoms. Li(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one F(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one O(2) and one O(3) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one F(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one K(2), one Li(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2) and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Li(1) atom. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one S(2) atom to form distorted corner-sharing FK3S tetrahedra. is represented by the CIF card [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.547
_cell_length_b   5.878
_cell_length_c   9.207
_cell_angle_alpha   100.417
_cell_angle_beta   113.966
_cell_angle_gamma   86.918
_symmetry_Int_Tables_number   1
_cell_volume   221.084
_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
  K  K0  1  0.646  0.719  0.411  1.0
  K  K1  1  0.378  0.217  0.698  1.0
  Li  Li2  1  0.924  0.905  0.189  1.0
  S  S3  1  0.989  0.345  0.086  1.0
  S  S4  1  0.029  0.749  0.833  1.0
  O  O5  1  0.928  0.935  0.734  1.0
  O  O6  1  0.958  0.571  0.192  1.0
  O  O7  1  0.757  0.157  0.073  1.0
  O  O8  1  0.365  0.684  0.871  1.0
  F  F9  1  0.147  0.983  0.405  1.0
  F  F10  1  0.824  0.494  0.664  1.0
[/CIF]
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