Materials Data on Hg3Pd by Materials Project

Abstract

PdHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Hg atoms to form PdHg12 cuboctahedra that share corners with six equivalent PdHg12 cuboctahedra, corners with twelve equivalent HgHg8Pd4 cuboctahedra, edges with eighteen equivalent HgHg8Pd4 cuboctahedra, faces with eight equivalent PdHg12 cuboctahedra, and faces with twelve equivalent HgHg8Pd4 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.23 Å) Pd–Hg bond lengths. Hg is bonded to four equivalent Pd and eight equivalent Hg atoms to form distorted HgHg8Pd4 cuboctahedra that share corners with four equivalent PdHg12 cuboctahedra, corners with fourteen equivalent HgHg8Pd4 cuboctahedra, edges with six equivalent PdHg12 cuboctahedra, edges with twelve equivalent HgHg8Pd4 cuboctahedra, faces with four equivalent PdHg12 cuboctahedra, and faces with sixteen equivalent HgHg8Pd4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.93–3.25 Å.