The compound 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 7-coordinate geometry to two equivalent 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 4-coordinate geometry to four equivalent O(1) atoms. Li(1) is bonded in a 3-coordinate geometry to one S(1), two equivalent O(2), 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 Li(1) and two equivalent O(1) atoms. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent O(2) and one F(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one K(1), 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 single-bond geometry to two equivalent K(1) and one S(2) atom. In the second F site, F(2) is bonded in a distorted L-shaped geometry to one K(1) and one Li(1) atom. is represented by the CIF card [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.029
_cell_length_b   5.567
_cell_length_c   8.101
_cell_angle_alpha   90.000
_cell_angle_beta   107.863
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.830
_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  0.225  0.250  0.337  1.0
  K  K1  1  0.812  0.750  0.742  1.0
  Li  Li2  1  0.616  0.250  0.076  1.0
  S  S3  1  0.268  0.250  0.762  1.0
  S  S4  1  0.695  0.750  0.157  1.0
  O  O5  1  0.322  0.477  0.672  1.0
  O  O6  1  0.625  0.971  0.238  1.0
  O  O7  1  0.625  0.529  0.238  1.0
  O  O8  1  0.322  0.023  0.672  1.0
  F  F9  1  0.054  0.750  0.248  1.0
  F  F10  1  0.923  0.250  0.014  1.0
[/CIF]
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The compound 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 7-coordinate geometry to two equivalent 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 4-coordinate geometry to four equivalent O(1) atoms. Li(1) is bonded in a 3-coordinate geometry to one S(1), two equivalent O(2), 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 Li(1) and two equivalent O(1) atoms. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent O(2) and one F(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one K(1), 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 single-bond geometry to two equivalent K(1) and one S(2) atom. In the second F site, F(2) is bonded in a distorted L-shaped geometry to one K(1) and one Li(1) atom. is represented by the CIF card [CIF]
data_K2LiS2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.029
_cell_length_b   5.567
_cell_length_c   8.101
_cell_angle_alpha   90.000
_cell_angle_beta   107.863
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.830
_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  0.225  0.250  0.337  1.0
  K  K1  1  0.812  0.750  0.742  1.0
  Li  Li2  1  0.616  0.250  0.076  1.0
  S  S3  1  0.268  0.250  0.762  1.0
  S  S4  1  0.695  0.750  0.157  1.0
  O  O5  1  0.322  0.477  0.672  1.0
  O  O6  1  0.625  0.971  0.238  1.0
  O  O7  1  0.625  0.529  0.238  1.0
  O  O8  1  0.322  0.023  0.672  1.0
  F  F9  1  0.054  0.750  0.248  1.0
  F  F10  1  0.923  0.250  0.014  1.0
[/CIF]
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