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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2Co16Cu by Materials Project

Ce2Co16Cu crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to nineteen Co and one Cu atom. There are a spread of Ce–Co bond distances ranging from 2.80–3.17 Å. The Ce–Cu bond length is 2.91 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.97–3.26 Å. There are twelve inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce and ten Co atoms to form CoCe2Co10 cuboctahedra that share corners with fourteen CoCe2Co8Cu2 cuboctahedra, edges with six CoCe3Co9 cuboctahedra, and faces with ten CoCe2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.53 Å. In the second Co site, Co is bonded to two equivalent Ce and ten Co atoms to form CoCe2Co10 cuboctahedra that share corners with fourteen CoCe2Co8Cu2 cuboctahedra, edges with six CoCe3Co8Cu cuboctahedra, and faces with ten CoCe2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.52 Å. In the third Co site, Co is bonded to two equivalent Ce, eight Co, and two equivalent Cu atoms to form CoCe2Co8Cu2 cuboctahedra that share corners with fourteen CoCe2Co10 cuboctahedra, edges with six CoCe3Co9 cuboctahedra, and faces with ten CoCe2Co10 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Cu bond lengths are 2.58 Å. In the fourth Co site, Co is bonded to two equivalent Ce, eight Co, and two equivalent Cu atoms to form CoCe2Co8Cu2 cuboctahedra that share corners with fourteen CoCe2Co10 cuboctahedra, edges with six CoCe3Co8Cu cuboctahedra, and faces with ten CoCe2Co10 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Cu bond lengths are 2.57 Å. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Ce, twelve Co, and one Cu atom. There are a spread of Co–Co bond distances ranging from 2.59–2.73 Å. The Co–Cu bond length is 2.41 Å. In the sixth Co site, Co is bonded in a 12-coordinate geometry to two Ce, nine Co, and one Cu atom. There are a spread of Co–Co bond distances ranging from 2.36–2.59 Å. The Co–Cu bond length is 2.67 Å. In the seventh Co site, Co is bonded in a 12-coordinate geometry to two Ce, nine Co, and one Cu atom. There are a spread of Co–Co bond distances ranging from 2.36–2.59 Å. The Co–Cu bond length is 2.67 Å. In the eighth Co site, Co is bonded in a 12-coordinate geometry to two Ce, nine Co, and one Cu atom. There are a spread of Co–Co bond distances ranging from 2.51–2.59 Å. The Co–Cu bond length is 2.67 Å. In the ninth Co site, Co is bonded to three Ce and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoCe3Co9 cuboctahedra. There are one shorter (2.43 Å) and one longer (2.44 Å) Co–Co bond lengths. In the tenth Co site, Co is bonded to three Ce and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoCe3Co9 cuboctahedra. In the eleventh Co site, Co is bonded to three Ce, eight Co, and one Cu atom to form distorted CoCe3Co8Cu cuboctahedra that share corners with fifteen CoCe2Co10 cuboctahedra, edges with eight CoCe2Co10 cuboctahedra, and faces with ten CoCe2Co8Cu2 cuboctahedra. Both Co–Co bond lengths are 2.39 Å. The Co–Cu bond length is 2.66 Å. In the twelfth Co site, Co is bonded to three Ce, eight Co, and one Cu atom to form distorted CoCe3Co8Cu cuboctahedra that share corners with fifteen CoCe2Co10 cuboctahedra, edges with eight CoCe2Co10 cuboctahedra, and faces with ten CoCe2Co8Cu2 cuboctahedra. The Co–Cu bond length is 2.67 Å. Cu is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCo4Cu by Materials Project

CeCo4Cu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to fifteen Co and three equivalent Cu atoms. There are a spread of Ce–Co bond distances ranging from 2.84–3.19 Å. There are two shorter (2.84 Å) and one longer (2.85 Å) Ce–Cu bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ce, six Co, and three equivalent Cu atoms to form distorted CoCe3Co6Cu3 cuboctahedra that share corners with nine equivalent CuCe3Co9 cuboctahedra, corners with twelve CoCe4Co6Cu2 cuboctahedra, edges with six equivalent CoCe3Co6Cu3 cuboctahedra, faces with three equivalent CuCe3Co9 cuboctahedra, and faces with twenty CoCe3Co6Cu3 cuboctahedra. All Co–Co bond lengths are 2.47 Å. There are two shorter (2.84 Å) and one longer (2.85 Å) Co–Cu bond lengths. In the second Co site, Co is bonded to four equivalent Ce, six Co, and two equivalent Cu atoms to form CoCe4Co6Cu2 cuboctahedra that share corners with four equivalent CuCe3Co9 cuboctahedra, corners with twenty CoCe3Co6Cu3 cuboctahedra, edges with ten CoCe4Co6Cu2 cuboctahedra, faces with six equivalent CuCe3Co9 cuboctahedra, and faces with sixteen CoCe3Co6Cu3 cuboctahedra. There are three shorter (2.46 Å) and one longer (2.47 Å) Co–Co bond lengths. Both Co–Cu bond lengths are 2.47 Å. In the third Co site, Co is bonded to four equivalent Ce, six Co, and two equivalent Cu atoms to form CoCe4Co6Cu2 cuboctahedra that share corners with four equivalent CuCe3Co9 cuboctahedra, corners with twenty CoCe4Co6Cu2 cuboctahedra, edges with ten CoCe4Co6Cu2 cuboctahedra, faces with six equivalent CuCe3Co9 cuboctahedra, and faces with sixteen CoCe3Co6Cu3 cuboctahedra. Both Co–Cu bond lengths are 2.48 Å. Cu is bonded to three equivalent Ce and nine Co atoms to form distorted CuCe3Co9 cuboctahedra that share corners with twenty-one CoCe3Co6Cu3 cuboctahedra, edges with six equivalent CuCe3Co9 cuboctahedra, faces with two equivalent CuCe3Co9 cuboctahedra, and faces with twenty-one CoCe3Co6Cu3 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCo3Cu2 by Materials Project

CeCo3Cu2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Cu atoms. All Ce–Co bond lengths are 3.19 Å. All Ce–Cu bond lengths are 2.85 Å. Co is bonded to four equivalent Ce, four equivalent Co, and four equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CoCe4Co4Cu4 cuboctahedra. All Co–Co bond lengths are 2.47 Å. All Co–Cu bond lengths are 2.47 Å. Cu is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Co atoms.

36 MATERIALS SCIENCE↗