Materials Data on IBrNCl by Materials Project
NIBrCl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NIBrCl sheets oriented in the (0, 0, 1) direction. N3- is bonded in a 4-coordinate geometry to one I1- and three equivalent Cl1- atoms. The N–I bond length is 3.61 Å. There are two shorter (3.38 Å) and one longer (3.40 Å) N–Cl bond lengths. I1- is bonded in a distorted linear geometry to one N3-, one Br5+, and one Cl1- atom. The I–Br bond length is 2.64 Å. The I–Cl bond length is 2.44 Å. Br5+ is bonded in a single-bond geometry to one I1- atom. Cl1- is bonded in a distorted single-bond geometry to three equivalent N3- and one I1- atom.
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