Materials Data on Hg3Pt by Materials Project

Abstract

PtHg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Hg atoms to form PtHg12 cuboctahedra that share corners with four equivalent PtHg12 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with sixteen equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with eight equivalent HgHg8Pt4 cuboctahedra. There are four shorter (2.97 Å) and eight longer (3.13 Å) Pt–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Pt and eight Hg atoms to form HgHg8Pt4 cuboctahedra that share corners with twelve equivalent HgHg8Pt4 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with eight equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with ten equivalent HgHg8Pt4 cuboctahedra. There are four shorter (2.97 Å) and four longer (3.13 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a distorted square co-planar geometry to four equivalent Pt and eight equivalent Hg atoms.