Materials Data on Th2Zn17 by Materials Project

Abstract

Th2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.16–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Th and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.77 Å. In the second Zn site, Zn is bonded to two equivalent Th and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–2.97 Å. In the third Zn site, Zn is bonded to three equivalent Th and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh3Zn9 cuboctahedra. There are two shorter (2.59 Å) and one longer (2.89 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to one Th and thirteen Zn atoms. The Zn–Zn bond length is 2.61 Å.