Materials Data on LiHg2Os by Materials Project

Abstract

LiOsHg2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Os and ten Hg atoms. All Li–Os bond lengths are 2.84 Å. There are four shorter (2.84 Å) and six longer (3.28 Å) Li–Hg bond lengths. Os is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Hg atoms. All Os–Hg bond lengths are 2.84 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to six equivalent Li, four equivalent Os, and four equivalent Hg atoms. All Hg–Hg bond lengths are 2.84 Å. In the second Hg site, Hg is bonded to four equivalent Li and four equivalent Hg atoms to form distorted edge-sharing HgLi4Hg4 tetrahedra.