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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu5(In2Ni)2 by Materials Project

Lu5Ni2In4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Lu–Ni bond lengths are 2.70 Å. There are a spread of Lu–In bond distances ranging from 3.11–3.35 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.85 Å) and two longer (2.88 Å) Lu–Ni bond lengths. There are a spread of Lu–In bond distances ranging from 3.19–3.31 Å. In the third Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.15 Å) and four longer (3.27 Å) Lu–In bond lengths. Ni is bonded in a 9-coordinate geometry to six Lu and three In atoms. There are a spread of Ni–In bond distances ranging from 2.79–3.25 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Lu and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuInNi2 by Materials Project

LuNi2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent In atoms. All Lu–Ni bond lengths are 2.76 Å. All Lu–In bond lengths are 3.19 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent In atoms. All Ni–In bond lengths are 2.76 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2InNi2 by Materials Project

Lu2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.78 Å) and four longer (2.81 Å) Lu–Ni bond lengths. All Lu–In bond lengths are 3.23 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Lu, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.50 Å. Both Ni–In bond lengths are 2.91 Å. In is bonded to eight equivalent Lu and four equivalent Ni atoms to form a mixture of face and corner-sharing InLu8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2InNi2 by Materials Project

Lu2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.76 Å) and two longer (2.89 Å) Lu–Ni bond lengths. All Lu–In bond lengths are 3.30 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Lu, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.44 Å. The Ni–In bond length is 2.78 Å. In is bonded in a 10-coordinate geometry to eight equivalent Lu and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuInNi4 by Materials Project

LuNi4In 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 In atoms. All Lu–Ni bond lengths are 2.90 Å. All Lu–In bond lengths are 3.03 Å. Ni is bonded to three equivalent Lu, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiLu3In3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.49 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.90 Å. In is bonded in a 4-coordinate geometry to four equivalent Lu and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗