Materials Data on Yb2In8Ir by Materials Project

Abstract

Yb2IrIn8 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 eight equivalent YbIn12 cuboctahedra, edges with twelve InYb4In8 cuboctahedra, faces with five equivalent YbIn12 cuboctahedra, and faces with eight InYb4In8 cuboctahedra. There are a spread of Yb–In bond distances ranging from 3.23–3.32 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.23 Å. In the second In site, In is bonded to four equivalent Yb and eight In atoms to form distorted InYb4In8 cuboctahedra that share corners with eight equivalent InYb4In8 cuboctahedra, edges with four equivalent YbIn12 cuboctahedra, edges with eight equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with nine InYb4In8 cuboctahedra. All In–In bond lengths are 3.33 Å. In the third In site, In is bonded to four equivalent Yb and eight In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, edges with eight equivalent YbIn12 cuboctahedra, edges with eight equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with twelve InYb4In8 cuboctahedra. All In–In bond lengths are 3.31 Å.