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DOE OSTI2020

Materials Data on LaInPd by Materials Project

LaPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four Pd and six equivalent In atoms. There are two shorter (2.97 Å) and two longer (3.04 Å) La–Pd bond lengths. There are two shorter (3.39 Å) and four longer (3.47 Å) La–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent In atoms. All Pd–In bond lengths are 3.16 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent La and six equivalent In atoms. All Pd–In bond lengths are 3.24 Å. In is bonded in a 11-coordinate geometry to six equivalent La and five Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaInPd2 by Materials Project

LaPd2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. There are two shorter (3.08 Å) and six longer (3.16 Å) La–Pd bond lengths. Pd is bonded in a 7-coordinate geometry to four equivalent La and three equivalent In atoms. All Pd–In bond lengths are 2.82 Å. In is bonded to six equivalent Pd atoms to form distorted edge-sharing InPd6 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaIn2Pd by Materials Project

LaPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (3.08 Å) and two longer (3.33 Å) La–Pd bond lengths. There are a spread of La–In bond distances ranging from 3.36–3.64 Å. Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent In atoms. There are two shorter (2.84 Å) and four longer (2.90 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent La, three equivalent Pd, and two equivalent In atoms. There are one shorter (3.03 Å) and one longer (3.12 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗