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.
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. The K(1)-O(1) bond length is 2.90 Å. There is one shorter (2.85 Å) and one longer (3.03 Å) K(1)-O(2) bond length. The K(1)-F(1) bond length is 2.68 Å. The K(1)-F(2) bond length is 2.63 Å. 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. The K(2)-O(1) bond length is 2.77 Å. The K(2)-O(2) bond length is 2.79 Å. The K(2)-O(4) bond length is 2.77 Å. The K(2)-F(1) bond length is 2.91 Å. There is one shorter (2.65 Å) and one longer (2.78 Å) K(2)-F(2) bond length. Li(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one F(2) atom. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(3) bond length is 2.07 Å. The Li(1)-O(4) bond length is 2.01 Å. The Li(1)-F(2) bond length is 1.85 Å. 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. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.48 Å. The S(1)-F(1) bond length is 1.80 Å. In the second S site, S(2) is bonded in a water-like geometry to one O(1) and one O(4) atom. The S(2)-O(1) bond length is 1.53 Å. The S(2)-O(4) bond length is 1.53 Å. 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.