Materials Data on TiH20C8(NF3)2 by Materials Project

Abstract

TiF6(C4NH10)2 is Fluorite structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two tetramethylammonium molecules and one TiF6 cluster. In the TiF6 cluster, Ti4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ti–F bond distances ranging from 1.88–1.92 Å. There are six 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. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom.