KTiH2S2O9 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(6) atoms. Ti(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the second S site, S(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent K(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Ti(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one H(1), and one H(2) atom.
KTiH2S2O9 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(6) atoms. The K(1)-O(3) bond length is 2.86 Å. Both K(1)-O(1) bond lengths are 2.86 Å. Both K(1)-O(2) bond lengths are 3.17 Å. Both K(1)-O(4) bond lengths are 2.90 Å. There is one shorter (2.80 Å) and two longer (3.13 Å) K(1)-O(6) bond lengths. Ti(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. The Ti(1)-O(5) bond length is 2.05 Å. The Ti(1)-O(7) bond length is 2.06 Å. Both Ti(1)-O(1) bond lengths are 2.02 Å. Both Ti(1)-O(4) bond lengths are 2.08 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. The H(2)-O(7) bond length is 1.00 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. The S(1)-O(2) bond length is 1.45 Å. The S(1)-O(3) bond length is 1.47 Å. Both S(1)-O(1) bond lengths are 1.53 Å. In the second S site, S(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. The S(2)-O(5) bond length is 1.49 Å. The S(2)-O(6) bond length is 1.46 Å. Both S(2)-O(4) bond lengths are 1.51 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent K(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Ti(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one H(1), and one H(2) atom.