Materials Data on Li2Eu5O8 by Materials Project

Abstract

Li2Eu5O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent EuO7 pentagonal bipyramids, corners with two equivalent LiO4 tetrahedra, and edges with three equivalent EuO7 pentagonal bipyramids. There are a spread of Li–O bond distances ranging from 1.88–2.07 Å. There are three inequivalent Eu+2.80+ sites. In the first Eu+2.80+ site, Eu+2.80+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.64 Å) and four longer (2.82 Å) Eu–O bond lengths. In the second Eu+2.80+ site, Eu+2.80+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent LiO4 tetrahedra, edges with five equivalent EuO7 pentagonal bipyramids, and edges with three equivalent LiO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.29–2.50 Å. In the third Eu+2.80+ site, Eu+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and five Eu+2.80+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Li1+ and four Eu+2.80+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and five Eu+2.80+ atoms. In the fourth O2- site, O2- is bonded to four Eu+2.80+ atoms to form a mixture of distorted edge and corner-sharing OEu4 tetrahedra.