Materials Data on Eu2BrO2 by Materials Project

Abstract

Eu2O2Br crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.45 Å. Both Eu–Br bond lengths are 3.37 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a 3-coordinate geometry to three O2- and three equivalent Br1- atoms. There are one shorter (2.26 Å) and two longer (2.32 Å) Eu–O bond lengths. There are two shorter (3.31 Å) and one longer (3.41 Å) Eu–Br bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu+2.50+ atoms to form a mixture of distorted edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded to four Eu+2.50+ atoms to form a mixture of edge and corner-sharing OEu4 trigonal pyramids. Br1- is bonded in a 5-coordinate geometry to five Eu+2.50+ atoms.