Materials Data on BrN4 by Materials Project

Abstract

N4Br crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two N4Br ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a distorted trigonal planar geometry to three N+1.25- atoms. There are a spread of N–N bond distances ranging from 1.30–1.40 Å. In the second N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to two N+1.25- atoms. The N–N bond length is 1.28 Å. In the third N+1.25- site, N+1.25- is bonded in a water-like geometry to two N+1.25- atoms. In the fourth N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to one N+1.25- and one Br5+ atom. The N–Br bond length is 1.88 Å. Br5+ is bonded in a single-bond geometry to one N+1.25- atom.