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), two equivalent O(2), one F(1), and one F(2) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one F(1), and two equivalent F(2) atoms. Li(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one F(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted 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 distorted tetrahedral 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 distorted single-bond geometry to one K(2), two equivalent K(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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 3-coordinate geometry to one K(1), one K(2), 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 Crystallographic Information File (CIF) [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   6.034
_cell_length_c   7.486
_cell_angle_alpha   86.904
_cell_angle_beta   106.686
_cell_angle_gamma   107.607
_symmetry_Int_Tables_number   1
_cell_volume   222.019
_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  0.729  0.682  0.402  1.0
  K  K1  1  0.236  0.374  0.673  1.0
  Li  Li2  1  0.682  0.093  0.792  1.0
  S  S3  1  0.062  0.319  0.171  1.0
  S  S4  1  0.142  0.834  0.897  1.0
  O  O5  1  0.941  0.939  0.758  1.0
  O  O6  1  0.116  0.513  0.305  1.0
  O  O7  1  0.777  0.243  0.054  1.0
  O  O8  1  0.365  0.823  0.812  1.0
  F  F9  1  0.058  0.087  0.332  1.0
  F  F10  1  0.698  0.342  0.636  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), two equivalent O(2), one F(1), and one F(2) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one F(1), and two equivalent F(2) atoms. Li(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one F(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted 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 distorted tetrahedral 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 distorted single-bond geometry to one K(2), two equivalent K(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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 3-coordinate geometry to one K(1), one K(2), 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 Crystallographic Information File (CIF) [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   6.034
_cell_length_c   7.486
_cell_angle_alpha   86.904
_cell_angle_beta   106.686
_cell_angle_gamma   107.607
_symmetry_Int_Tables_number   1
_cell_volume   222.019
_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  0.729  0.682  0.402  1.0
  K  K1  1  0.236  0.374  0.673  1.0
  Li  Li2  1  0.682  0.093  0.792  1.0
  S  S3  1  0.062  0.319  0.171  1.0
  S  S4  1  0.142  0.834  0.897  1.0
  O  O5  1  0.941  0.939  0.758  1.0
  O  O6  1  0.116  0.513  0.305  1.0
  O  O7  1  0.777  0.243  0.054  1.0
  O  O8  1  0.365  0.823  0.812  1.0
  F  F9  1  0.058  0.087  0.332  1.0
  F  F10  1  0.698  0.342  0.636  1.0
[/CIF]
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