Materials Data on AgC3N3O by Materials Project

Abstract

AgC3N3O is Indium structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four AgC3N3O clusters. Ag1+ is bonded in a tetrahedral geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.25–2.34 Å. The Ag–O bond length is 2.45 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.36 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ag1+, one C+3.33+, and one O2- atom. The N–O bond length is 1.28 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. O2- is bonded in a bent 120 degrees geometry to one Ag1+ and one N3- atom.