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Materials Data on LuInPd2 by Materials Project

LuPd2In 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 Pd atoms. All Lu–Pd bond lengths are 2.91 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent In atoms. All Pd–In bond lengths are 2.91 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu2InPd2 by Materials Project

Lu2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.95 Å) Lu–Pd bond lengths. All Lu–In bond lengths are 3.37 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Lu, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.79 Å. Both Pd–In bond lengths are 3.01 Å. In is bonded to eight equivalent Lu and four equivalent Pd atoms to form a mixture of corner and face-sharing InLu8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on LuInPd by Materials Project

LuPdIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to five Pd and six In atoms. There are four shorter (2.97 Å) and one longer (3.20 Å) Lu–Pd bond lengths. There are two shorter (3.14 Å) and four longer (3.35 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 11-coordinate geometry to five Pd and six In atoms. There are a spread of Lu–Pd bond distances ranging from 2.98–3.16 Å. There are a spread of Lu–In bond distances ranging from 3.13–3.36 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Lu and three In atoms. There are two shorter (2.89 Å) and one longer (2.90 Å) Pd–In bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Lu and six In atoms. There are four shorter (2.74 Å) and two longer (2.75 Å) Pd–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Lu and four Pd atoms. In the second In site, In is bonded in a 10-coordinate geometry to six Lu and four Pd atoms.

36 MATERIALS SCIENCE↗