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.
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. There are two shorter (2.84 Å) and two longer (3.24 Å) K(1)-O(2) bond lengths. The K(1)-F(2) bond length is 2.89 Å. 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. Both K(2)-O(1) bond lengths are 2.88 Å. Both K(2)-O(2) bond lengths are 2.82 Å. The K(2)-F(1) bond length is 2.55 Å. Li(1) is bonded in a 3-coordinate geometry to one S(2), two equivalent O(1), and one F(1) atom. The Li(1)-S(2) bond length is 2.62 Å. Both Li(1)-O(1) bond lengths are 2.05 Å. The Li(1)-F(1) bond length is 1.74 Å. 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. Both S(1)-O(1) bond lengths are 1.49 Å. The S(1)-F(2) bond length is 1.74 Å. 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. Both S(2)-O(2) bond lengths are 1.53 Å. 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.