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All sourcesNASA NTRSDOE OSTI
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 Zr2InAu2 by Materials Project

Zr2Au2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.83 Å) and four longer (2.98 Å) Zr–Au bond lengths. All Zr–In bond lengths are 3.43 Å. In the second Zr site, 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 3.29 Å. Au is bonded in a 10-coordinate geometry to six Zr and two equivalent In atoms. Both Au–In bond lengths are 3.02 Å. In is bonded in a 4-coordinate geometry to eight Zr and four equivalent Au atoms.

36 MATERIALS SCIENCE↗