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 9-coordinate geometry to two equivalent O(1), four equivalent O(2), one F(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), and two equivalent F(2) atoms. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(2), and one F(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1), 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 two equivalent 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 rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Li(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one K(1) and two equivalent K(2) atoms.
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 9-coordinate geometry to two equivalent O(1), four equivalent O(2), one F(2), and two equivalent F(1) atoms. Both K(1)-O(1) bond lengths are 3.06 Å. There are two shorter (3.03 Å) and two longer (3.15 Å) K(1)-O(2) bond lengths. The K(1)-F(2) bond length is 2.57 Å. Both K(1)-F(1) bond lengths are 2.74 Å. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), and two equivalent F(2) atoms. Both K(2)-O(1) bond lengths are 3.00 Å. The K(2)-F(1) bond length is 2.72 Å. Both K(2)-F(2) bond lengths are 2.75 Å. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(2), and one F(1) atom. Both Li(1)-O(1) bond lengths are 1.98 Å. Both Li(1)-O(2) bond lengths are 2.42 Å. The Li(1)-F(1) bond length is 1.84 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. Both S(1)-O(1) bond lengths are 1.50 Å. In the second S site, S(2) is bonded in a water-like geometry to two equivalent O(2) atoms. Both S(2)-O(2) bond lengths are 1.49 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1), 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 two equivalent 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 rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Li(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one K(1) and two equivalent K(2) atoms.