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DOE OSTI2020

Materials Data on NdAl3Pd2 by Materials Project

NdPd2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Al atoms. All Nd–Pd bond lengths are 3.17 Å. All Nd–Al bond lengths are 3.47 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. All Pd–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to four equivalent Nd and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdAlPd by Materials Project

NdPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 5-coordinate geometry to five Pd atoms. All Nd–Pd bond lengths are 3.04 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. All Pd–Al bond lengths are 2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Al atoms. All Pd–Al bond lengths are 2.87 Å. Al is bonded in a 4-coordinate geometry to four Pd atoms.

36 MATERIALS SCIENCE↗