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All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on La4In21Pd10 by Materials Project

La4Pd10In21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.50 Å) and two longer (3.59 Å) La–Pd bond lengths. There are a spread of La–In bond distances ranging from 3.28–3.70 Å. In the second La site, La is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.43 Å) and two longer (3.54 Å) La–Pd bond lengths. There are a spread of La–In bond distances ranging from 3.29–4.01 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent La and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.93 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.88–2.94 Å. In the third Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent La and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.86–2.92 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent La and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.82–3.29 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent La and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.95 Å. There are eleven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Pd atoms. In the second In site, In is bonded in a 1-coordinate geometry to one La and three Pd atoms. In the third In site, In is bonded in a 5-coordinate geometry to two equivalent La and three Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two La, five Pd, and one In atom. The In–In bond length is 3.26 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to three La, four Pd, and five In atoms. There are a spread of In–In bond distances ranging from 3.28–3.32 Å. In the sixth In site, In is bonded in a 3-coordinate geometry to one La, four Pd, and two equivalent In atoms. In the seventh In site, In is bonded in a 3-coordinate geometry to three La, three Pd, and two equivalent In atoms. In the eighth In site, In is bonded in a 5-coordinate geometry to two equivalent La and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to one La, four Pd, and three In atoms. Both In–In bond lengths are 3.27 Å. In the tenth In site, In is bonded in a 12-coordinate geometry to three equivalent La, four Pd, and five In atoms. Both In–In bond lengths are 3.37 Å. In the eleventh In site, In is bonded in a 3-coordinate geometry to three equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗