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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaAl3Pd2 by Materials Project

LaPd2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Al atoms. All La–Pd bond lengths are 3.20 Å. All La–Al bond lengths are 3.49 Å. Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Al atoms. All Pd–Al bond lengths are 2.66 Å. Al is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(AlPd)2 by Materials Project

LaPd2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight Pd and eight Al atoms. There are four shorter (3.35 Å) and four longer (3.37 Å) La–Pd bond lengths. There are four shorter (3.37 Å) and four longer (3.38 Å) La–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Al atoms. All Pd–Al bond lengths are 2.54 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.52 Å) and four longer (2.57 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent La and four equivalent Pd atoms to form a mixture of distorted edge and face-sharing AlLa4Pd4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent La and five Pd atoms.

36 MATERIALS SCIENCE↗