Materials Data on Cs3EuF6 by Materials Project

Abstract

Cs3EuF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.94 Å) and four longer (3.64 Å) Cs–F bond lengths. In the second Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Cs–F bond lengths are 2.82 Å. Eu3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.22 Å) and two longer (2.32 Å) Eu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and one Eu3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to five Cs1+ and one Eu3+ atom.