Materials Data on Ag2C4I3N by Materials Project

Abstract

Ag2CI3C3N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four aziridine, 1-methyl- molecules and two Ag2CI3 ribbons oriented in the (1, 0, 0) direction. In each Ag2CI3 ribbon, Ag1+ is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four I1- atoms. There are one shorter (2.94 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are a spread of Ag–I bond distances ranging from 2.75–3.76 Å. C1+ is bonded in a single-bond geometry to one I1- atom. The C–I bond length is 2.05 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one C1+ atom. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ag1+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Ag1+ atoms.