KHgH2OCl3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(1), one Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. Hg(1) is bonded to one Cl(2), two equivalent Cl(3), and three equivalent Cl(1) atoms to form distorted edge-sharing HgCl6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to two equivalent K(1), one H(1), and one H(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1) and three equivalent Hg(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Hg(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent K(1) and two equivalent Hg(1) atoms to form corner-sharing ClK2Hg2 trigonal pyramids.
KHgH2OCl3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(1), one Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. Both K(1)-O(1) bond lengths are 2.89 Å. The K(1)-Cl(1) bond length is 3.56 Å. There is one shorter (3.40 Å) and one longer (3.44 Å) K(1)-Cl(3) bond length. There are two shorter (3.34 Å) and two longer (3.37 Å) K(1)-Cl(2) bond lengths. Hg(1) is bonded to one Cl(2), two equivalent Cl(3), and three equivalent Cl(1) atoms to form distorted edge-sharing HgCl6 octahedra. The Hg(1)-Cl(2) bond length is 2.49 Å. Both Hg(1)-Cl(3) bond lengths are 2.76 Å. There is one shorter (2.55 Å) and two longer (3.01 Å) Hg(1)-Cl(1) bond lengths. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.98 Å. O(1) is bonded in a distorted water-like geometry to two equivalent K(1), one H(1), and one H(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1) and three equivalent Hg(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Hg(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent K(1) and two equivalent Hg(1) atoms to form corner-sharing ClK2Hg2 trigonal pyramids.