Materials Data on HgCBr3N by Materials Project
HgBr3CN crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two HgBr3 ribbons oriented in the (0, 0, 1) direction. In each HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.56–3.28 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a T-shaped geometry to three equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.
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