Materials Data on HfF4 by Materials Project

Abstract

HfF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Hf–F bond distances ranging from 2.08–2.19 Å. In the second Hf4+ site, Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Hf–F bond distances ranging from 2.06–2.15 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Hf4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Hf4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a distorted linear geometry to two Hf4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Hf4+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Hf4+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Hf4+ atoms.