KHgH2OI3 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), one I(3), two equivalent I(1), and two equivalent I(2) atoms. Hg(1) is bonded to one I(1), one I(2), and two equivalent I(3) atoms to form corner-sharing HgI4 tetrahedra. 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 I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Hg(1) atoms.
KHgH2OI3 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), one I(3), two equivalent I(1), and two equivalent I(2) atoms. There is one shorter (2.83 Å) and one longer (2.84 Å) K(1)-O(1) bond length. The K(1)-I(3) bond length is 3.72 Å. There is one shorter (3.78 Å) and one longer (3.89 Å) K(1)-I(1) bond length. There is one shorter (3.74 Å) and one longer (3.81 Å) K(1)-I(2) bond length. Hg(1) is bonded to one I(1), one I(2), and two equivalent I(3) atoms to form corner-sharing HgI4 tetrahedra. The Hg(1)-I(1) bond length is 2.81 Å. The Hg(1)-I(2) bond length is 2.78 Å. There is one shorter (2.90 Å) and one longer (2.94 Å) Hg(1)-I(3) bond length. 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 I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Hg(1) atoms.