Materials Data on CsHg by Materials Project

Abstract

CsHg is delta Molybdenum Boride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to seven Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.02–4.44 Å. In the second Cs site, Cs is bonded in a 7-coordinate geometry to seven Hg atoms. There are a spread of Cs–Hg bond distances ranging from 3.95–4.37 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to seven Cs and two equivalent Hg atoms. There are one shorter (3.09 Å) and one longer (3.14 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a 9-coordinate geometry to seven Cs and two equivalent Hg atoms.