Materials Data on Ce2Br5 by Materials Project

Abstract

Ce2Br5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to seven Br atoms to form distorted edge-sharing CeBr7 pentagonal bipyramids. There are a spread of Ce–Br bond distances ranging from 2.99–3.18 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to eight Br atoms. There are a spread of Ce–Br bond distances ranging from 3.02–3.61 Å. There are five inequivalent Br sites. In the first Br site, Br is bonded in a trigonal non-coplanar geometry to three equivalent Ce atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Ce atoms. In the third Br site, Br is bonded in a distorted T-shaped geometry to three Ce atoms. In the fourth Br site, Br is bonded in a trigonal non-coplanar geometry to three equivalent Ce atoms. In the fifth Br site, Br is bonded in a distorted L-shaped geometry to three Ce atoms.