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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm2Pd2Pb by Materials Project

Sm2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.94 Å) and four longer (3.07 Å) Sm–Pd bond lengths. All Sm–Pb bond lengths are 3.49 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Sm, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Sm and four equivalent Pd atoms to form a mixture of face and corner-sharing PbSm8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmPd2Pb by Materials Project

SmPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Sm–Pd bond lengths are 3.02 Å. All Sm–Pb bond lengths are 3.49 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pb atoms. All Pd–Pb bond lengths are 3.02 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Sm and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmPdPb by Materials Project

SmPdPb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to five Pd and six Pb atoms. There are four shorter (3.13 Å) and one longer (3.19 Å) Sm–Pd bond lengths. There are two shorter (3.31 Å) and four longer (3.44 Å) Sm–Pb bond lengths. In the second Sm site, Sm is bonded in a 11-coordinate geometry to five Pd and six Pb atoms. There are a spread of Sm–Pd bond distances ranging from 3.12–3.19 Å. There are two shorter (3.31 Å) and four longer (3.44 Å) Sm–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Sm and three Pb atoms. All Pd–Pb bond lengths are 2.96 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Sm and six Pb atoms. All Pd–Pb bond lengths are 2.88 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 10-coordinate geometry to six Sm and four Pd atoms. In the second Pb site, Pb is bonded in a 10-coordinate geometry to six Sm and four Pd atoms.

36 MATERIALS SCIENCE↗