Materials Data on ZrH14C2(N4F3)2 by Materials Project

Abstract

ZrF6(CN4H7)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four aminoguanidinium molecules and two ZrF6 clusters. In each ZrF6 cluster, Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.06 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom.