HgI2 crystallizes in the monoclinic C2/c space group. The structure consists of a HgI2 framework. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one I(1), one I(5), one I(6), and one I(7) atom to form corner-sharing HgI4 tetrahedra. In the second Hg site, Hg(2) is bonded to one I(2), one I(3), one I(4), and one I(5) atom to form corner-sharing HgI4 tetrahedra. In the third Hg site, Hg(3) is bonded to one I(1), one I(3), one I(6), and one I(8) atom to form corner-sharing HgI4 tetrahedra. In the fourth Hg site, Hg(4) is bonded to one I(2), one I(4), one I(7), and one I(8) atom to form corner-sharing HgI4 tetrahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Hg(1) and one Hg(3) atom. In the second I site, I(3) is bonded in a water-like geometry to one Hg(2) and one Hg(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Hg(2) and one Hg(4) atom. In the fourth I site, I(5) is bonded in a water-like geometry to one Hg(1) and one Hg(2) atom. In the fifth I site, I(6) is bonded in a water-like geometry to one Hg(1) and one Hg(3) atom. In the sixth I site, I(7) is bonded in a water-like geometry to one Hg(1) and one Hg(4) atom. In the seventh I site, I(4) is bonded in a water-like geometry to one Hg(2) and one Hg(4) atom. In the eighth I site, I(8) is bonded in a water-like geometry to one Hg(3) and one Hg(4) atom.
HgI2 crystallizes in the monoclinic C2/c space group. The structure consists of a HgI2 framework. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one I(1), one I(5), one I(6), and one I(7) atom to form corner-sharing HgI4 tetrahedra. The Hg(1)-I(1) bond length is 2.84 Å. The Hg(1)-I(5) bond length is 2.82 Å. The Hg(1)-I(6) bond length is 2.85 Å. The Hg(1)-I(7) bond length is 2.83 Å. In the second Hg site, Hg(2) is bonded to one I(2), one I(3), one I(4), and one I(5) atom to form corner-sharing HgI4 tetrahedra. The Hg(2)-I(2) bond length is 2.82 Å. The Hg(2)-I(3) bond length is 2.83 Å. The Hg(2)-I(4) bond length is 2.84 Å. The Hg(2)-I(5) bond length is 2.85 Å. In the third Hg site, Hg(3) is bonded to one I(1), one I(3), one I(6), and one I(8) atom to form corner-sharing HgI4 tetrahedra. The Hg(3)-I(1) bond length is 2.85 Å. The Hg(3)-I(3) bond length is 2.83 Å. The Hg(3)-I(6) bond length is 2.82 Å. The Hg(3)-I(8) bond length is 2.85 Å. In the fourth Hg site, Hg(4) is bonded to one I(2), one I(4), one I(7), and one I(8) atom to form corner-sharing HgI4 tetrahedra. The Hg(4)-I(2) bond length is 2.85 Å. The Hg(4)-I(4) bond length is 2.85 Å. The Hg(4)-I(7) bond length is 2.83 Å. The Hg(4)-I(8) bond length is 2.82 Å. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Hg(1) and one Hg(3) atom. In the second I site, I(3) is bonded in a water-like geometry to one Hg(2) and one Hg(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Hg(2) and one Hg(4) atom. In the fourth I site, I(5) is bonded in a water-like geometry to one Hg(1) and one Hg(2) atom. In the fifth I site, I(6) is bonded in a water-like geometry to one Hg(1) and one Hg(3) atom. In the sixth I site, I(7) is bonded in a water-like geometry to one Hg(1) and one Hg(4) atom. In the seventh I site, I(4) is bonded in a water-like geometry to one Hg(2) and one Hg(4) atom. In the eighth I site, I(8) is bonded in a water-like geometry to one Hg(3) and one Hg(4) atom.