Materials Data on Er4OsBr4 by Materials Project

Abstract

Er4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.96–3.12 Å. In the second Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.95–3.09 Å. Os is bonded in a 8-coordinate geometry to eight Er atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Er atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Er atoms.