Materials Data on U(Zn10Os)2 by Materials Project

Abstract

UOs2Zn20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.10 Å) and twelve longer (3.13 Å) U–Zn bond lengths. Os is bonded to twelve Zn atoms to form OsZn12 cuboctahedra that share corners with six equivalent OsZn12 cuboctahedra, edges with eighteen equivalent ZnUZn10Os cuboctahedra, and faces with six equivalent ZnUZn10Os cuboctahedra. There are six shorter (2.54 Å) and six longer (2.81 Å) Os–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent U and twelve equivalent Zn atoms. All Zn–Zn bond lengths are 3.04 Å. In the second Zn site, Zn is bonded in a distorted linear geometry to two equivalent Os and six equivalent Zn atoms. There are two shorter (2.69 Å) and four longer (2.83 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to one U, one Os, and ten Zn atoms to form distorted ZnUZn10Os cuboctahedra that share corners with fifteen equivalent ZnUZn10Os cuboctahedra, edges with two equivalent ZnUZn10Os cuboctahedra, edges with three equivalent OsZn12 cuboctahedra, a faceface with one OsZn12 cuboctahedra, and faces with fifteen equivalent ZnUZn10Os cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.92 Å.