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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu4CdNi by Materials Project

Lu4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Lu–Ni bond lengths are 2.73 Å. All Lu–Cd bond lengths are 3.34 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Lu–Ni bond lengths are 2.73 Å. Both Lu–Cd bond lengths are 3.39 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Lu–Ni bond lengths are 3.38 Å. Both Lu–Cd bond lengths are 3.15 Å. Ni is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuCdNi4 by Materials Project

LuNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Lu–Ni bond lengths are 2.89 Å. All Lu–Cd bond lengths are 3.01 Å. Ni is bonded to three equivalent Lu, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiLu3Cd3Ni6 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.47 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.88 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Lu and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗