Materials Data on Ti3Hg by Materials Project

Abstract

HgTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Hg atoms to form distorted TiTi8Hg4 cuboctahedra that share corners with twelve equivalent TiTi8Hg4 cuboctahedra, edges with eight equivalent HgTi12 cuboctahedra, edges with sixteen equivalent TiTi8Hg4 cuboctahedra, faces with four equivalent HgTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Hg4 cuboctahedra. All Ti–Ti bond lengths are 2.93 Å. All Ti–Hg bond lengths are 2.93 Å. Hg is bonded to twelve equivalent Ti atoms to form HgTi12 cuboctahedra that share corners with twelve equivalent HgTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Hg4 cuboctahedra, faces with six equivalent HgTi12 cuboctahedra, and faces with twelve equivalent TiTi8Hg4 cuboctahedra.