Materials Data on HgNCl3 by Materials Project
(HgCl3)2N2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ammonia molecule and one HgCl3 sheet oriented in the (0, 0, 1) direction. In the HgCl3 sheet, Hg2+ is bonded to six Cl1- atoms to form a mixture of corner and edge-sharing HgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.35 Å) and four longer (2.92 Å) Hg–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom.
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