The material structure described by K2LiS2(O2F)2 crystallizes in the monoclinic Pm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to four equivalent O(2) and one F(2) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(2), and one F(1) atom. Li(1) is bonded in a 3-coordinate geometry to one S(2), two equivalent O(1), and one F(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent O(1) and one F(2) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(2), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(2), two equivalent K(1), and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one K(2) and one Li(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and one S(1) atom. is represented by the CIF file [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.081
_cell_length_b   5.592
_cell_length_c   7.918
_cell_angle_alpha   90.000
_cell_angle_beta   109.073
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.632
_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  0.170  0.250  0.235  1.0
  K  K1  1  0.763  0.750  0.655  1.0
  Li  Li2  1  0.356  0.750  0.908  1.0
  S  S3  1  0.426  0.250  0.847  1.0
  S  S4  1  0.720  0.750  0.230  1.0
  O  O5  1  0.343  0.471  0.737  1.0
  O  O6  1  0.667  0.976  0.322  1.0
  O  O7  1  0.667  0.524  0.322  1.0
  O  O8  1  0.343  0.029  0.737  1.0
  F  F9  1  0.069  0.750  0.982  1.0
  F  F10  1  0.781  0.250  0.876  1.0
[/CIF]
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The material structure described by K2LiS2(O2F)2 crystallizes in the monoclinic Pm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to four equivalent O(2) and one F(2) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(2), and one F(1) atom. Li(1) is bonded in a 3-coordinate geometry to one S(2), two equivalent O(1), and one F(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent O(1) and one F(2) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(2), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(2), two equivalent K(1), and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one K(2) and one Li(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and one S(1) atom. is represented by the CIF file [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.081
_cell_length_b   5.592
_cell_length_c   7.918
_cell_angle_alpha   90.000
_cell_angle_beta   109.073
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.632
_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  0.170  0.250  0.235  1.0
  K  K1  1  0.763  0.750  0.655  1.0
  Li  Li2  1  0.356  0.750  0.908  1.0
  S  S3  1  0.426  0.250  0.847  1.0
  S  S4  1  0.720  0.750  0.230  1.0
  O  O5  1  0.343  0.471  0.737  1.0
  O  O6  1  0.667  0.976  0.322  1.0
  O  O7  1  0.667  0.524  0.322  1.0
  O  O8  1  0.343  0.029  0.737  1.0
  F  F9  1  0.069  0.750  0.982  1.0
  F  F10  1  0.781  0.250  0.876  1.0
[/CIF]
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