Materials Data on Ce3Hg by Materials Project
Ce3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Hg atoms to form distorted CeCe8Hg4 cuboctahedra that share corners with twelve equivalent CeCe8Hg4 cuboctahedra, edges with eight equivalent CeCe8Hg4 cuboctahedra, edges with eight equivalent HgCe12 cuboctahedra, faces with four equivalent HgCe12 cuboctahedra, and faces with ten equivalent CeCe8Hg4 cuboctahedra. There are four shorter (3.31 Å) and four longer (3.38 Å) Ce–Ce bond lengths. All Ce–Hg bond lengths are 3.38 Å. In the second Ce site, Ce is bonded in a distorted square co-planar geometry to eight equivalent Ce and four equivalent Hg atoms. All Ce–Hg bond lengths are 3.31 Å. Hg is bonded to twelve Ce atoms to form HgCe12 cuboctahedra that share corners with four equivalent HgCe12 cuboctahedra, edges with eight equivalent HgCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hg4 cuboctahedra, faces with four equivalent HgCe12 cuboctahedra, and faces with eight equivalent CeCe8Hg4 cuboctahedra.