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Materials Data on LuNiPb by Materials Project

LuNiPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ni and six equivalent Pb atoms. There are four shorter (2.96 Å) and one longer (2.99 Å) Lu–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.25 Å) Lu–Pb bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Pb atoms. All Ni–Pb bond lengths are 2.77 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Pb atoms. All Ni–Pb bond lengths are 2.75 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Lu and four Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu5NiPb3 by Materials Project

Lu5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 7-coordinate geometry to two equivalent Ni and five equivalent Pb atoms. Both Lu–Ni bond lengths are 2.68 Å. There are a spread of Lu–Pb bond distances ranging from 3.14–3.60 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Lu–Pb bond lengths are 3.20 Å. Ni is bonded to six equivalent Lu atoms to form face-sharing NiLu6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗