Materials Data on BrNO3 by Materials Project

Abstract

BrONO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two BrONO2 ribbons oriented in the (0, 0, 1) direction. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one Br5+ atom. The O–Br bond length is 2.02 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one Br5+ atom. The O–Br bond length is 2.16 Å. Br5+ is bonded in a linear geometry to two O2- atoms.