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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuInAu2 by Materials Project

LuInAu2 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 Au atoms. All Lu–Au bond lengths are 3.00 Å. Au is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent In atoms. All Au–In bond lengths are 3.00 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuInAu by Materials Project

LuAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.06 Å) and one longer (3.11 Å) Lu–Au bond lengths. There are two shorter (3.24 Å) and four longer (3.36 Å) Lu–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent In atoms. All Au–In bond lengths are 2.82 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent In atoms. All Au–In bond lengths are 2.88 Å. In is bonded in a 4-coordinate geometry to six equivalent Lu and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2InAu2 by Materials Project

Lu2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.99 Å) Lu–Au bond lengths. All Lu–In bond lengths are 3.46 Å. Au is bonded in a 9-coordinate geometry to six equivalent Lu and two equivalent In atoms. Both Au–In bond lengths are 3.12 Å. In is bonded to eight equivalent Lu and four equivalent Au atoms to form a mixture of distorted corner and face-sharing InLu8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2InAu2 by Materials Project

Lu2Au2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Lu–Au bond lengths. All Lu–In bond lengths are 3.49 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.99 Å) Lu–Au bond lengths. All Lu–In bond lengths are 3.41 Å. Au is bonded in a 8-coordinate geometry to six Lu and two equivalent In atoms. Both Au–In bond lengths are 3.12 Å. In is bonded in a 12-coordinate geometry to eight Lu and four equivalent Au atoms.

36 MATERIALS SCIENCE↗