Materials Data on CeF4 by Materials Project

Abstract

CeF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ce–F bond distances ranging from 2.23–2.33 Å. In the second Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are six shorter (2.26 Å) and two longer (2.37 Å) Ce–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ce4+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ce4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Ce4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ce4+ atoms. In the seventh F1- site, F1- is bonded in a distorted linear geometry to two Ce4+ atoms.