Materials Data on Yb(In2Au)2 by Materials Project

Abstract

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.