Materials Data on CoN5Cl3 by Materials Project

Abstract

CoN5Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four CoN5Cl3 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded in a distorted tetrahedral geometry to four N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.62–1.89 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.71 Å. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.45 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two N+0.20+ atoms.