Materials Data on TiH12C2(NF)6 by Materials Project

Abstract

TiF6(CN3H6)2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four guanidinium molecules and two TiF6 clusters. In each TiF6 cluster, Ti4+ is bonded in an octahedral geometry to six F1- atoms. There is one shorter (1.89 Å) and five longer (1.90 Å) Ti–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom.