Materials Data on HgH6I3NO by Materials Project
HgI3NH4H2O crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four ammonium molecules; four water molecules; and two HgI3 ribbons oriented in the (0, 0, 1) direction. In each HgI3 ribbon, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.78–3.00 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom.
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