Materials Data on Y2Zn17 by Materials Project

Abstract

Y2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.11–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Y and nine Zn atoms to form distorted ZnY3Zn9 cuboctahedra that share corners with twenty-three ZnY2Zn10 cuboctahedra, edges with ten ZnY2Zn10 cuboctahedra, and faces with twenty ZnY3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.55–2.87 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Y and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form ZnY2Zn10 cuboctahedra that share corners with twenty-two ZnY2Zn10 cuboctahedra, edges with ten ZnY2Zn10 cuboctahedra, and faces with eighteen ZnY3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form distorted ZnY2Zn10 cuboctahedra that share corners with twenty-four ZnY2Zn10 cuboctahedra, edges with five ZnY2Zn10 cuboctahedra, and faces with twenty-one ZnY3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.