The material 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 5-coordinate geometry to one O(1), one O(2), one O(3), one F(1), and one F(2) atom. In the second K site, K(2) is bonded to one O(1), one O(2), one O(4), and two equivalent F(2) atoms to form distorted KO3F2 trigonal bipyramids that share corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent K(2)O3F2 trigonal bipyramids, and  an edgeedge with one Li(1)O3F tetrahedra. Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share corners with two equivalent K(2)O3F2 trigonal bipyramids and  an edgeedge with one K(2)O3F2 trigonal bipyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one F(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one O(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Li(1), and one S(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one Li(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(2), one Li(1), and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one K(1) and one S(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent K(2), and one Li(1) atom. is represented by the CIF file [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.771
_cell_length_c   7.516
_cell_angle_alpha   79.922
_cell_angle_beta   106.826
_cell_angle_gamma   103.778
_symmetry_Int_Tables_number   1
_cell_volume   214.760
_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  0.647  0.742  0.389  1.0
  K  K1  1  0.187  0.381  0.668  1.0
  Li  Li2  1  0.662  0.081  0.811  1.0
  S  S3  1  0.054  0.265  0.174  1.0
  S  S4  1  0.115  0.799  0.900  1.0
  O  O5  1  0.916  0.928  0.752  1.0
  O  O6  1  0.067  0.447  0.295  1.0
  O  O7  1  0.776  0.152  0.087  1.0
  O  O8  1  0.359  0.810  0.831  1.0
  F  F9  1  0.139  0.023  0.352  1.0
  F  F10  1  0.662  0.362  0.648  1.0
[/CIF]
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The material 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 5-coordinate geometry to one O(1), one O(2), one O(3), one F(1), and one F(2) atom. In the second K site, K(2) is bonded to one O(1), one O(2), one O(4), and two equivalent F(2) atoms to form distorted KO3F2 trigonal bipyramids that share corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent K(2)O3F2 trigonal bipyramids, and  an edgeedge with one Li(1)O3F tetrahedra. Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share corners with two equivalent K(2)O3F2 trigonal bipyramids and  an edgeedge with one K(2)O3F2 trigonal bipyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one F(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one O(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Li(1), and one S(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one Li(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(2), one Li(1), and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one K(1) and one S(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent K(2), and one Li(1) atom. is represented by the CIF file [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.771
_cell_length_c   7.516
_cell_angle_alpha   79.922
_cell_angle_beta   106.826
_cell_angle_gamma   103.778
_symmetry_Int_Tables_number   1
_cell_volume   214.760
_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  0.647  0.742  0.389  1.0
  K  K1  1  0.187  0.381  0.668  1.0
  Li  Li2  1  0.662  0.081  0.811  1.0
  S  S3  1  0.054  0.265  0.174  1.0
  S  S4  1  0.115  0.799  0.900  1.0
  O  O5  1  0.916  0.928  0.752  1.0
  O  O6  1  0.067  0.447  0.295  1.0
  O  O7  1  0.776  0.152  0.087  1.0
  O  O8  1  0.359  0.810  0.831  1.0
  F  F9  1  0.139  0.023  0.352  1.0
  F  F10  1  0.662  0.362  0.648  1.0
[/CIF]
.