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Materials Data on CeHg2 by Materials Project

CeHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Hg atoms to form a mixture of distorted edge and face-sharing CeHg12 cuboctahedra. All Ce–Hg bond lengths are 3.40 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗

Materials Data on CeHg by Materials Project

HgCe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ce–Hg bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗

Materials Data on CeHg3 by Materials Project

CeHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded to twelve Hg atoms to form a mixture of face and corner-sharing CeHg12 cuboctahedra. There are a spread of Ce–Hg bond distances ranging from 3.23–3.44 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Ce atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Ce atoms.

36 MATERIALS SCIENCE↗

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.

36 MATERIALS SCIENCE↗