Materials Data on Y4OsBr4 by Materials Project

Abstract

Y4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing YOs2Br4 pentagonal pyramids. There are one shorter (2.91 Å) and one longer (2.92 Å) Y–Os bond lengths. There are a spread of Y–Br bond distances ranging from 2.99–3.19 Å. In the second Y site, Y is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing YOs2Br4 pentagonal pyramids. There are one shorter (2.91 Å) and one longer (2.92 Å) Y–Os bond lengths. There are a spread of Y–Br bond distances ranging from 2.97–3.17 Å. Os is bonded in a 8-coordinate geometry to eight Y atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Y atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Y atoms.