The compound 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), one O(4), 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(2), one O(3), two equivalent O(4), one F(1), and one F(2) atom. Li(1) is bonded in a 3-coordinate geometry to one O(1), one F(1), and one F(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(1), one Li(1), and one S(1) 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(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2) and one S(2) atom. In the fourth O site, O(4) is bonded to one K(1), two equivalent K(2), and one S(1) atom to form distorted corner-sharing OK3S tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Li(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), 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   5.444
_cell_length_b   6.723
_cell_length_c   7.257
_cell_angle_alpha   101.712
_cell_angle_beta   111.497
_cell_angle_gamma   94.252
_symmetry_Int_Tables_number   1
_cell_volume   238.777
_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  0.157  0.144  0.288  1.0
  K  K1  1  0.815  0.881  0.703  1.0
  Li  Li2  1  0.873  0.497  0.955  1.0
  S  S3  1  0.408  0.234  0.836  1.0
  S  S4  1  0.561  0.766  0.169  1.0
  O  O5  1  0.473  0.415  0.759  1.0
  O  O6  1  0.635  0.979  0.305  1.0
  O  O7  1  0.632  0.605  0.283  1.0
  O  O8  1  0.302  0.038  0.670  1.0
  F  F9  1  0.003  0.767  0.047  1.0
  F  F10  1  0.959  0.245  0.948  1.0
[/CIF]
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The compound 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), one O(4), 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(2), one O(3), two equivalent O(4), one F(1), and one F(2) atom. Li(1) is bonded in a 3-coordinate geometry to one O(1), one F(1), and one F(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(1), one Li(1), and one S(1) 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(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2) and one S(2) atom. In the fourth O site, O(4) is bonded to one K(1), two equivalent K(2), and one S(1) atom to form distorted corner-sharing OK3S tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Li(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), 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   5.444
_cell_length_b   6.723
_cell_length_c   7.257
_cell_angle_alpha   101.712
_cell_angle_beta   111.497
_cell_angle_gamma   94.252
_symmetry_Int_Tables_number   1
_cell_volume   238.777
_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  0.157  0.144  0.288  1.0
  K  K1  1  0.815  0.881  0.703  1.0
  Li  Li2  1  0.873  0.497  0.955  1.0
  S  S3  1  0.408  0.234  0.836  1.0
  S  S4  1  0.561  0.766  0.169  1.0
  O  O5  1  0.473  0.415  0.759  1.0
  O  O6  1  0.635  0.979  0.305  1.0
  O  O7  1  0.632  0.605  0.283  1.0
  O  O8  1  0.302  0.038  0.670  1.0
  F  F9  1  0.003  0.767  0.047  1.0
  F  F10  1  0.959  0.245  0.948  1.0
[/CIF]
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