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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmSnAu by Materials Project

TmAuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tm is bonded in a 3-coordinate geometry to six equivalent Au and six equivalent Sn atoms. There are three shorter (2.97 Å) and three longer (3.67 Å) Tm–Au bond lengths. There are three shorter (3.19 Å) and three longer (3.37 Å) Tm–Sn bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Sn atoms. There are three shorter (2.82 Å) and one longer (2.92 Å) Au–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSnAu by Materials Project

TmAuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded to four equivalent Au and six equivalent Sn atoms to form a mixture of distorted face and corner-sharing TmSn6Au4 tetrahedra. All Tm–Au bond lengths are 2.89 Å. All Tm–Sn bond lengths are 3.34 Å. Au is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sn atoms. All Au–Sn bond lengths are 2.89 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Tm and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2SnAu2 by Materials Project

Tm2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.94 Å) and four longer (2.99 Å) Tm–Au bond lengths. All Tm–Sn bond lengths are 3.44 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.91 Å) and four longer (3.04 Å) Tm–Au bond lengths. All Tm–Sn bond lengths are 3.49 Å. Au is bonded in a 9-coordinate geometry to six Tm, one Au, and two equivalent Sn atoms. The Au–Au bond length is 2.84 Å. Both Au–Sn bond lengths are 3.09 Å. Sn is bonded to eight Tm and four equivalent Au atoms to form a mixture of face and corner-sharing SnTm8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2SnAu2 by Materials Project

Tm2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to six Au and two equivalent Sn atoms. There are three shorter (3.01 Å) and three longer (3.02 Å) Tm–Au bond lengths. Both Tm–Sn bond lengths are 3.10 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to six equivalent Tm atoms. In the second Au site, Au is bonded in a 6-coordinate geometry to six equivalent Tm atoms. Sn is bonded in a rectangular see-saw-like geometry to four equivalent Tm atoms.

36 MATERIALS SCIENCE↗