Materials Data on Yb8In3 by Materials Project

Abstract

Yb8In3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Yb–In bond distances ranging from 3.33–3.42 Å. In the second Yb site, Yb is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Yb–In bond distances ranging from 3.26–3.54 Å. In the third Yb site, Yb is bonded to four In atoms to form distorted corner-sharing YbIn4 tetrahedra. There are one shorter (3.28 Å) and three longer (3.48 Å) Yb–In bond lengths. In the fourth Yb site, Yb is bonded in a 4-coordinate geometry to four In atoms. There are one shorter (3.23 Å) and three longer (3.45 Å) Yb–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to ten Yb atoms. In the second In site, In is bonded in a distorted q6 geometry to ten Yb atoms. In the third In site, In is bonded in a body-centered cubic geometry to eight Yb atoms.