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DOE OSTI2020

Materials Data on LuAlPd by Materials Project

LuPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) Lu–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.23 Å) Lu–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. All Pd–Al bond lengths are 2.63 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Al atoms. All Pd–Al bond lengths are 2.73 Å. Al is bonded in a 4-coordinate geometry to six equivalent Lu and four Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LuAl2Pd5 by Materials Project

LuPd5Al2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve Pd atoms to form a mixture of face and corner-sharing LuPd12 cuboctahedra. There are four shorter (2.91 Å) and eight longer (2.96 Å) Lu–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Lu atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Lu and four equivalent Al atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Pd–Al bond lengths. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗