Materials Data on RbHfF5 by Materials Project

Abstract

RbHfF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.29 Å. Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Hf–F bond distances ranging from 2.01–2.25 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Hf4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Hf4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Hf4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Hf4+ atoms.