Ce3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ce(1), four equivalent Ce(2), and four equivalent Hg(1) atoms to form distorted CeCe8Hg4 cuboctahedra that share corners with twelve equivalent Ce(1)Ce8Hg4 cuboctahedra, edges with eight equivalent Ce(1)Ce8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Ce12 cuboctahedra, faces with four equivalent Hg(1)Ce12 cuboctahedra, and faces with ten equivalent Ce(1)Ce8Hg4 cuboctahedra. In the second Ce site, Ce(2) is bonded in a distorted square co-planar geometry to eight equivalent Ce(1) and four equivalent Hg(1) atoms. Hg(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form HgCe12 cuboctahedra that share corners with four equivalent Hg(1)Ce12 cuboctahedra, edges with eight equivalent Hg(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Hg4 cuboctahedra, faces with four equivalent Hg(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Hg4 cuboctahedra.
Ce3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ce(1), four equivalent Ce(2), and four equivalent Hg(1) atoms to form distorted CeCe8Hg4 cuboctahedra that share corners with twelve equivalent Ce(1)Ce8Hg4 cuboctahedra, edges with eight equivalent Ce(1)Ce8Hg4 cuboctahedra, edges with eight equivalent Hg(1)Ce12 cuboctahedra, faces with four equivalent Hg(1)Ce12 cuboctahedra, and faces with ten equivalent Ce(1)Ce8Hg4 cuboctahedra. All Ce(1)-Ce(1) bond lengths are 3.37 Å. All Ce(1)-Ce(2) bond lengths are 3.41 Å. All Ce(1)-Hg(1) bond lengths are 3.41 Å. In the second Ce site, Ce(2) is bonded in a distorted square co-planar geometry to eight equivalent Ce(1) and four equivalent Hg(1) atoms. All Ce(2)-Hg(1) bond lengths are 3.37 Å. Hg(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form HgCe12 cuboctahedra that share corners with four equivalent Hg(1)Ce12 cuboctahedra, edges with eight equivalent Hg(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Hg4 cuboctahedra, faces with four equivalent Hg(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Hg4 cuboctahedra.