Materials Data on KHg by Materials Project

Abstract

KHg is delta Molybdenum Boride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.61–4.08 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Hg atoms. There are a spread of K–Hg bond distances ranging from 3.65–3.94 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to seven K and two equivalent Hg atoms. There are one shorter (3.08 Å) and one longer (3.11 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a 10-coordinate geometry to eight K and two equivalent Hg atoms.