Materials Data on Hg3Rh by Materials Project

Abstract

RhHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Hg atoms to form RhHg12 cuboctahedra that share corners with six equivalent RhHg12 cuboctahedra, corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eighteen equivalent HgHg8Rh4 cuboctahedra, faces with eight equivalent RhHg12 cuboctahedra, and faces with twelve equivalent HgHg8Rh4 cuboctahedra. There are six shorter (3.01 Å) and six longer (3.05 Å) Rh–Hg bond lengths. Hg is bonded to four equivalent Rh and eight equivalent Hg atoms to form distorted HgHg8Rh4 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, corners with fourteen equivalent HgHg8Rh4 cuboctahedra, edges with six equivalent RhHg12 cuboctahedra, edges with twelve equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with sixteen equivalent HgHg8Rh4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.93–3.10 Å.