Materials Data on Lu2Zn17 by Materials Project

Abstract

Lu2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.08–3.44 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Lu and nine Zn atoms to form distorted ZnLu3Zn9 cuboctahedra that share corners with twenty-three ZnLu2Zn10 cuboctahedra, edges with ten ZnLu2Zn10 cuboctahedra, and faces with twenty ZnLu3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Lu and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form ZnLu2Zn10 cuboctahedra that share corners with twenty-two ZnLu2Zn10 cuboctahedra, edges with ten ZnLu2Zn10 cuboctahedra, and faces with eighteen ZnLu3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.58 Å. In the fourth Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form distorted ZnLu2Zn10 cuboctahedra that share corners with twenty-four ZnLu2Zn10 cuboctahedra, edges with five ZnLu2Zn10 cuboctahedra, and faces with twenty-one ZnLu3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.