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DOE OSTI2020

Materials Data on NdZnPd by Materials Project

NdPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (3.02 Å) and one longer (3.05 Å) Nd–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.32 Å) Nd–Zn bond lengths. 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 Zn atoms. All Pd–Zn bond lengths are 2.69 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.89 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Nd and four Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nd6Zn4Pd13 by Materials Project

Nd6Pd13Zn4 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to nine Pd and four equivalent Zn atoms. There are a spread of Nd–Pd bond distances ranging from 2.94–3.23 Å. All Nd–Zn bond lengths are 3.47 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in an octahedral geometry to six equivalent Nd atoms. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Pd, and two equivalent Zn atoms. All Pd–Pd bond lengths are 2.80 Å. Both Pd–Zn bond lengths are 2.67 Å. Zn is bonded in a distorted hexagonal planar geometry to six equivalent Nd and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗