Materials Data on YbIn5Rh by Materials Project

Abstract

YbRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve In atoms to form YbIn12 cuboctahedra that share corners with four equivalent YbIn12 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra. There are eight shorter (3.26 Å) and four longer (3.31 Å) Yb–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Yb and eight equivalent In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra. All In–In bond lengths are 3.26 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Rh, and two equivalent In atoms.