KHS2O7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(7), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. H(1) is bonded in a linear geometry to one O(1) and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing SO4 tetrahedra. In the second S site, S(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing SO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one H(1) and one S(2) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one H(1), and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom.
KHS2O7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(7), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The K(1)-O(1) bond length is 2.94 Å. The K(1)-O(7) bond length is 2.93 Å. There is one shorter (2.92 Å) and one longer (3.21 Å) K(1)-O(2) bond length. There is one shorter (2.75 Å) and one longer (2.88 Å) K(1)-O(4) bond length. There is one shorter (2.94 Å) and one longer (2.97 Å) K(1)-O(5) bond length. H(1) is bonded in a linear geometry to one O(1) and one O(6) atom. The H(1)-O(1) bond length is 1.04 Å. The H(1)-O(6) bond length is 1.51 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing SO4 tetrahedra. The S(1)-O(1) bond length is 1.56 Å. The S(1)-O(2) bond length is 1.44 Å. The S(1)-O(3) bond length is 1.61 Å. The S(1)-O(7) bond length is 1.43 Å. In the second S site, S(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing SO4 tetrahedra. The S(2)-O(3) bond length is 1.74 Å. The S(2)-O(4) bond length is 1.45 Å. The S(2)-O(5) bond length is 1.45 Å. The S(2)-O(6) bond length is 1.46 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one H(1) and one S(2) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one H(1), and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom.