Materials Data on Y(Zn10Ru)2 by Materials Project

Abstract

Y(RuZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.09 Å) and twelve longer (3.16 Å) Y–Zn bond lengths. Ru is bonded to twelve Zn atoms to form RuZn12 cuboctahedra that share corners with six equivalent RuZn12 cuboctahedra, edges with eighteen equivalent ZnYZn10Ru cuboctahedra, and faces with six equivalent ZnYZn10Ru cuboctahedra. There are six shorter (2.53 Å) and six longer (2.77 Å) Ru–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to one Y, one Ru, and ten Zn atoms to form distorted ZnYZn10Ru cuboctahedra that share corners with fifteen equivalent ZnYZn10Ru cuboctahedra, edges with two equivalent ZnYZn10Ru cuboctahedra, edges with three equivalent RuZn12 cuboctahedra, a faceface with one RuZn12 cuboctahedra, and faces with fifteen equivalent ZnYZn10Ru cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–3.05 Å. In the second Zn site, Zn is bonded in a distorted linear geometry to two equivalent Y and twelve equivalent Zn atoms. In the third Zn site, Zn is bonded in a distorted linear geometry to two equivalent Ru and six equivalent Zn atoms.