Materials Data on EuBr2 by Materials Project

Abstract

EuBr2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.15 Å) and four longer (3.16 Å) Eu–Br bond lengths. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Eu–Br bond distances ranging from 3.12–3.58 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing BrEu4 tetrahedra. In the second Br1- site, Br1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing BrEu4 tetrahedra. In the third Br1- site, Br1- is bonded to four Eu2+ atoms to form a mixture of distorted edge and corner-sharing BrEu4 trigonal pyramids. In the fourth Br1- site, Br1- is bonded in a 4-coordinate geometry to four Eu2+ atoms.