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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeCdNi4 by Materials Project

CeNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Ce–Ni bond lengths are 2.93 Å. All Ce–Cd bond lengths are 3.06 Å. Ni is bonded to three equivalent Ce, six equivalent Ni, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing NiCe3Cd3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.52 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ce and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(Cd10Ni)2 by Materials Project

Ce(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.43 Å) and twelve longer (3.48 Å) Ce–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdCeCd10Ni cuboctahedra, and faces with six equivalent CdCeCd10Ni cuboctahedra. There are six shorter (2.80 Å) and six longer (3.07 Å) Ni–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted linear geometry to two equivalent Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.98–3.12 Å. In the second Cd site, Cd is bonded to one Ce, one Ni, and ten Cd atoms to form distorted CdCeCd10Ni cuboctahedra that share corners with fifteen equivalent CdCeCd10Ni cuboctahedra, edges with two equivalent CdCeCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdCeCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.93–3.37 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Ce and twelve equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4CdNi by Materials Project

Ce4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Ce–Ni bond lengths are 2.84 Å. All Ce–Cd bond lengths are 3.43 Å. In the second Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Ce–Ni bond lengths are 2.81 Å. Both Ce–Cd bond lengths are 3.46 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Ce–Ni bond lengths are 3.49 Å. Both Ce–Cd bond lengths are 3.30 Å. Ni is bonded in a 6-coordinate geometry to nine Ce atoms. Cd is bonded to nine Ce and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdCe9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗