Materials Data on CoSiN5ClF6 by Materials Project

Abstract

(CoSiClF6)2(N2)5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two nitrogen gas molecules, two triazane molecules, and two CoSiClF6 clusters. In each CoSiClF6 cluster, Co2+ is bonded in a 3-coordinate geometry to one Cl1- and two equivalent F1- atoms. The Co–Cl bond length is 2.14 Å. Both Co–F bond lengths are 1.91 Å. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.65–1.91 Å. Cl1- is bonded in a distorted single-bond geometry to one Co2+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a water-like geometry to one Co2+ and one Si4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.