Materials Data on CsAsF4 by Materials Project

Abstract

CsAsF4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.10–3.71 Å. As3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.80–1.96 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one As3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one As3+ atom.