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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm4MgPd by Materials Project

MgSm4Pd crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Sm atoms to form a mixture of face and corner-sharing MgSm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Sm bond distances ranging from 3.41–3.62 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Sm, and three equivalent Pd atoms. All Sm–Sm bond lengths are 3.65 Å. All Sm–Pd bond lengths are 2.92 Å. In the second Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Sm, and two equivalent Pd atoms. All Sm–Sm bond lengths are 3.75 Å. Both Sm–Pd bond lengths are 2.92 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Sm, and two equivalent Pd atoms. All Sm–Sm bond lengths are 3.66 Å. Both Sm–Pd bond lengths are 3.65 Å. Pd is bonded in a 6-coordinate geometry to nine Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2MgPd2 by Materials Project

Sm2Pd2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 3.07 Å. Sm is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.93 Å) and four longer (3.07 Å) Sm–Pd bond lengths. Pd is bonded in a 9-coordinate geometry to two equivalent Mg and six equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmMgPd by Materials Project

MgSmPd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Pd atoms. There are two shorter (2.74 Å) and two longer (2.95 Å) Mg–Pd bond lengths. Sm is bonded in a 5-coordinate geometry to five Pd atoms. There are four shorter (3.06 Å) and one longer (3.16 Å) Sm–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Sm atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Sm atoms.

36 MATERIALS SCIENCE↗