Materials Data on Ce2SeF4 by Materials Project

Abstract

Ce2SeF4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and seven F1- atoms. All Ce–Se bond lengths are 3.17 Å. There are four shorter (2.41 Å) and three longer (2.66 Å) Ce–F bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Ce3+ and eight F1- atoms. There are two shorter (3.22 Å) and six longer (3.29 Å) Se–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and one Se2- atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ and three equivalent Se2- atoms.