Materials Data on CoSnN6Cl5 by Materials Project

Abstract

CoN4ClN2SnCl4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitrogen molecules, four tin tetrachloride molecules, and four CoN4Cl clusters. In each CoN4Cl cluster, Co3+ is bonded in a tetrahedral geometry to four N+0.33- atoms. There are a spread of Co–N bond distances ranging from 1.61–1.86 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one Co3+ and one Cl1- atom. The N–Cl bond length is 1.64 Å. In the second N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Co3+ atom. In the third N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Co3+ atom. In the fourth N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Co3+ atom. Cl1- is bonded in a single-bond geometry to one N+0.33- atom.