Materials Data on Zr2InAu2 by Materials Project

Abstract

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.