Materials Data on HSeNO4 by Materials Project

Abstract

N2(HSeO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four ammonia molecules and four HSeO4 ribbons oriented in the (1, 0, 0) direction. In each HSeO4 ribbon, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. Se4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.65–1.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se4+ atom.