Materials Data on IN3 by Materials Project

Abstract

IN3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two IN3 clusters. there are five inequivalent N+0.33+ sites. In the first N+0.33+ site, N+0.33+ is bonded in a 1-coordinate geometry to one N+0.33+ atom. The N–N bond length is 1.26 Å. In the second N+0.33+ site, N+0.33+ is bonded in a distorted bent 120 degrees geometry to two N+0.33+ atoms. There is one shorter (1.30 Å) and one longer (1.31 Å) N–N bond length. In the third N+0.33+ site, N+0.33+ is bonded in a distorted trigonal planar geometry to two N+0.33+ and one I1- atom. The N–N bond length is 1.27 Å. The N–I bond length is 2.91 Å. In the fourth N+0.33+ site, N+0.33+ is bonded in a distorted bent 120 degrees geometry to two N+0.33+ atoms. The N–N bond length is 1.31 Å. In the fifth N+0.33+ site, N+0.33+ is bonded in a distorted trigonal planar geometry to two N+0.33+ and one I1- atom. The N–I bond length is 2.91 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one N+0.33+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one N+0.33+ atom.