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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrInAu2 by Materials Project

ZrAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Zr–Au bond lengths are 2.96 Å. Au is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent In atoms. All Au–In bond lengths are 2.96 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrInAu by Materials Project

ZrAuIn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent Au and six equivalent In atoms to form distorted ZrIn6Au4 tetrahedra that share corners with four equivalent InZr6Au4 tetrahedra, corners with six equivalent ZrIn6Au4 tetrahedra, edges with six equivalent InZr6Au4 tetrahedra, and faces with twelve equivalent ZrIn6Au4 tetrahedra. All Zr–Au bond lengths are 2.83 Å. All Zr–In bond lengths are 3.26 Å. Au is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent In atoms. All Au–In bond lengths are 2.83 Å. In is bonded to six equivalent Zr and four equivalent Au atoms to form distorted InZr6Au4 tetrahedra that share corners with four equivalent ZrIn6Au4 tetrahedra, corners with six equivalent InZr6Au4 tetrahedra, edges with six equivalent ZrIn6Au4 tetrahedra, and faces with twelve equivalent InZr6Au4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2InAu2 by Materials Project

Zr2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.93 Å) Zr–Au bond lengths. All Zr–In bond lengths are 3.36 Å. Au is bonded in a 9-coordinate geometry to six equivalent Zr, one Au, and two equivalent In atoms. The Au–Au bond length is 2.79 Å. Both Au–In bond lengths are 3.00 Å. In is bonded to eight equivalent Zr and four equivalent Au atoms to form a mixture of distorted corner and face-sharing InZr8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrInAu2 by Materials Project

ZrAu2In is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Zr–Au bond lengths are 2.96 Å. Au is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent In atoms. All Au–In bond lengths are 3.07 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗