Materials Data on Eu3BrO4 by Materials Project

Abstract

Eu3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Eu–O bond distances ranging from 2.26–2.36 Å. Both Eu–Br bond lengths are 3.25 Å. In the second Eu3+ site, Eu3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Eu3+ atoms. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of distorted corner and edge-sharing OEu4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.