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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbIn2Au by Materials Project

YbAuIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to three equivalent Au and ten equivalent In atoms. There are one shorter (3.11 Å) and two longer (3.25 Å) Yb–Au bond lengths. There are a spread of Yb–In bond distances ranging from 3.32–3.58 Å. Au is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent In atoms. There are two shorter (2.86 Å) and four longer (2.89 Å) Au–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Yb and three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbInAu2 by Materials Project

YbInAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Yb–Au bond lengths are 3.04 Å. Au is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent In atoms. All Au–In bond lengths are 3.04 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbInAu by Materials Project

YbInAu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.11 Å) and one longer (3.22 Å) Yb–Au bond lengths. There are two shorter (3.28 Å) and four longer (3.44 Å) Yb–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 Yb and six equivalent In atoms. All Au–In bond lengths are 2.87 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent In atoms. All Au–In bond lengths are 2.96 Å. In is bonded in a 10-coordinate geometry to six equivalent Yb and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(In2Au)2 by Materials Project

Yb(AuIn2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to four Au and ten In atoms. There are two shorter (3.34 Å) and two longer (3.40 Å) Yb–Au bond lengths. There are a spread of Yb–In bond distances ranging from 3.35–3.64 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.02 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the third In site, In is bonded to one Yb and four Au atoms to form a mixture of distorted edge and corner-sharing InYbAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Yb and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2InAu2 by Materials Project

Yb2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.94 Å) and four longer (3.05 Å) Yb–Au bond lengths. All Yb–In bond lengths are 3.53 Å. Au is bonded in a 8-coordinate geometry to six equivalent Yb and two equivalent In atoms. Both Au–In bond lengths are 3.15 Å. In is bonded to eight equivalent Yb and four equivalent Au atoms to form a mixture of distorted corner and face-sharing InYb8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗