Materials Data on Cs2BeF4 by Materials Project

Abstract

Cs2BeF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.16–3.61 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.57–1.59 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom.