Materials Data on Eu4I6O by Materials Project

Abstract

Eu4OI6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a distorted single-bond geometry to one O2- and six I1- atoms. The Eu–O bond length is 2.38 Å. There are three shorter (3.42 Å) and three longer (3.58 Å) Eu–I bond lengths. In the second Eu2+ site, Eu2+ is bonded in a distorted single-bond geometry to one O2- and seven I1- atoms. The Eu–O bond length is 2.41 Å. There are a spread of Eu–I bond distances ranging from 3.29–3.56 Å. O2- is bonded in a tetrahedral geometry to four Eu2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Eu2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to five Eu2+ atoms.