Materials Data on Yb2Zn17 by Materials Project

Abstract

Yb2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Yb–Zn bond distances ranging from 3.06–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Yb and ten Zn atoms to form ZnYb2Zn10 cuboctahedra that share corners with fourteen ZnYb2Zn10 cuboctahedra, edges with six equivalent ZnYb3Zn9 cuboctahedra, and faces with ten ZnYb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.75 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Yb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.71–3.04 Å. In the third Zn site, Zn is bonded to three equivalent Yb and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnYb3Zn9 cuboctahedra. There are two shorter (2.58 Å) and one longer (2.86 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Yb and thirteen Zn atoms. The Zn–Zn bond length is 2.73 Å.