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Materials Data on TmInAu2 by Materials Project

TmAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tm–Au bond lengths are 3.02 Å. Au is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent In atoms. All Au–In bond lengths are 3.02 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tm2InAu2 by Materials Project

Tm2Au2In 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 In atoms. There are two shorter (2.91 Å) and four longer (3.03 Å) Tm–Au bond lengths. All Tm–In bond lengths are 3.51 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.91 Å) and four longer (3.00 Å) Tm–Au bond lengths. All Tm–In bond lengths are 3.43 Å. Au is bonded in a 8-coordinate geometry to six Tm and two equivalent In atoms. Both Au–In bond lengths are 3.14 Å. In is bonded in a 12-coordinate geometry to eight Tm and four equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tm2InAu2 by Materials Project

Tm2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.91 Å) and four longer (3.01 Å) Tm–Au bond lengths. All Tm–In bond lengths are 3.47 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tm and two equivalent In atoms. Both Au–In bond lengths are 3.13 Å. In is bonded to eight equivalent Tm and four equivalent Au atoms to form a mixture of distorted corner and face-sharing InTm8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on TmInAu by Materials Project

TmAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.06 Å) and one longer (3.13 Å) Tm–Au bond lengths. There are two shorter (3.24 Å) and four longer (3.38 Å) Tm–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent In atoms. All Au–In bond lengths are 2.82 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent In atoms. All Au–In bond lengths are 2.90 Å. In is bonded in a 4-coordinate geometry to six equivalent Tm and four Au atoms.

36 MATERIALS SCIENCE↗