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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmCdAu2 by Materials Project

SmAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.07 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Cd atoms. All Au–Cd bond lengths are 3.07 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2CdAu2 by Materials Project

Sm2Au2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Cd atoms. There are two shorter (2.99 Å) and four longer (3.10 Å) Sm–Au bond lengths. All Sm–Cd bond lengths are 3.57 Å. Au is bonded in a 9-coordinate geometry to six equivalent Sm and two equivalent Cd atoms. Both Au–Cd bond lengths are 3.21 Å. Cd is bonded to eight equivalent Sm and four equivalent Au atoms to form a mixture of distorted corner and face-sharing CdSm8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCdAu by Materials Project

SmAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.12 Å) and one longer (3.25 Å) Sm–Au bond lengths. There are two shorter (3.30 Å) and four longer (3.46 Å) Sm–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Cd atoms. All Au–Cd bond lengths are 2.86 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cd atoms. All Au–Cd bond lengths are 2.99 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Sm and four Au atoms.

36 MATERIALS SCIENCE↗