Materials Data on Gd(Zn10Co)2 by Materials Project

Abstract

Gd(CoZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.04 Å) and twelve longer (3.11 Å) Gd–Zn bond lengths. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with six equivalent CoZn12 cuboctahedra, edges with eighteen equivalent ZnGdZn10Co cuboctahedra, and faces with six equivalent ZnGdZn10Co cuboctahedra. There are six shorter (2.49 Å) and six longer (2.71 Å) Co–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted linear geometry to two equivalent Co and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.76 Å. In the second Zn site, Zn is bonded to one Gd, one Co, and ten Zn atoms to form distorted ZnGdZn10Co cuboctahedra that share corners with fifteen equivalent ZnGdZn10Co cuboctahedra, edges with two equivalent ZnGdZn10Co cuboctahedra, edges with three equivalent CoZn12 cuboctahedra, a faceface with one CoZn12 cuboctahedra, and faces with fifteen equivalent ZnGdZn10Co cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.63–3.01 Å. In the third Zn site, Zn is bonded in a distorted linear geometry to two equivalent Gd and twelve equivalent Zn atoms.