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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeCu6 by Materials Project

CeCu6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to nineteen Cu atoms. There are a spread of Ce–Cu bond distances ranging from 2.87–3.36 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–3.00 Å. In the second Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of edge, face, and corner-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.46–2.68 Å. In the third Cu site, Cu is bonded in a 2-coordinate geometry to four equivalent Ce and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.06 Å. In the fourth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of edge, face, and corner-sharing CuCe3Cu9 cuboctahedra. There are one shorter (2.48 Å) and one longer (2.63 Å) Cu–Cu bond lengths. In the fifth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Ce and eight Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCu by Materials Project

CeCu is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to seven equivalent Cu atoms. There are a spread of Ce–Cu bond distances ranging from 2.95–3.45 Å. Cu is bonded in a 9-coordinate geometry to seven equivalent Ce and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCu5 by Materials Project

CeCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.93 Å) and twelve longer (3.27 Å) Ce–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Ce and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuCe4Cu8 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.54 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Cu by Materials Project

Ce3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Cu atoms to form distorted CeCe8Cu4 cuboctahedra that share corners with twelve equivalent CeCe8Cu4 cuboctahedra, edges with eight equivalent CuCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cu4 cuboctahedra, faces with four equivalent CuCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Cu4 cuboctahedra. All Ce–Ce bond lengths are 3.24 Å. All Ce–Cu bond lengths are 3.24 Å. Cu is bonded to twelve equivalent Ce atoms to form CuCe12 cuboctahedra that share corners with twelve equivalent CuCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Cu4 cuboctahedra, faces with six equivalent CuCe12 cuboctahedra, and faces with twelve equivalent CeCe8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗