K3H3S2(O4F)2 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(8), and one F(2) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(8), and two equivalent F(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(6) and one F(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one F(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one S(1) and one O(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one H(3), one O(1), one O(2), and one O(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(3), one K(4), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one H(2), and one S(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(2), one K(3), one H(3), and one F(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one S(2), and one O(8) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one K(2), one K(3), one H(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(4), and one O(5) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one K(3) and one O(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(4), one H(1), and one H(2) atom.
K3H3S2(O4F)2 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(8), and one F(2) atom. The K(1)-O(2) bond length is 2.82 Å. The K(1)-O(4) bond length is 3.25 Å. The K(1)-O(5) bond length is 3.06 Å. The K(1)-O(7) bond length is 2.74 Å. The K(1)-O(8) bond length is 2.66 Å. The K(1)-F(2) bond length is 2.77 Å. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(8) atom. The K(2)-O(3) bond length is 2.98 Å. The K(2)-O(4) bond length is 2.73 Å. The K(2)-O(6) bond length is 3.19 Å. The K(2)-O(7) bond length is 2.92 Å. The K(2)-O(8) bond length is 2.65 Å. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms. Both K(3)-O(1) bond lengths are 2.94 Å. Both K(3)-O(3) bond lengths are 3.03 Å. Both K(3)-O(6) bond lengths are 3.15 Å. Both K(3)-F(1) bond lengths are 3.27 Å. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(8), and two equivalent F(2) atoms. Both K(4)-O(1) bond lengths are 3.29 Å. Both K(4)-O(2) bond lengths are 3.17 Å. Both K(4)-O(8) bond lengths are 2.80 Å. Both K(4)-F(2) bond lengths are 3.16 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(6) and one F(2) atom. The H(1)-O(6) bond length is 1.07 Å. The H(1)-F(2) bond length is 1.38 Å. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one F(2) atom. The H(2)-O(2) bond length is 1.03 Å. The H(2)-F(2) bond length is 1.49 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one S(1) and one O(3) atom. The H(3)-S(1) bond length is 1.91 Å. The H(3)-O(3) bond length is 1.04 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one H(3), one O(1), one O(2), and one O(4) atom. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(2) bond length is 1.66 Å. The S(1)-O(4) bond length is 1.49 Å. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. The S(2)-O(5) bond length is 1.65 Å. The S(2)-O(6) bond length is 1.62 Å. The S(2)-O(7) bond length is 1.47 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(3), one K(4), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one H(2), and one S(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(2), one K(3), one H(3), and one F(1) atom. The O(3)-F(1) bond length is 1.47 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one S(2), and one O(8) atom. The O(5)-O(8) bond length is 1.50 Å. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one K(2), one K(3), one H(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(4), and one O(5) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one K(3) and one O(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(4), one H(1), and one H(2) atom.