Materials Data on AuI3N by Materials Project

Abstract

AuNI3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.64 Å) and two longer (2.77 Å) Au–I bond lengths. In the second Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.63 Å) and two longer (2.78 Å) Au–I bond lengths. N2- is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of N–I bond distances ranging from 3.59–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two Au5+ and one N2- atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms.