Materials Data on Gd2Zn17 by Materials Project

Abstract

Gd2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Gd–Zn bond distances ranging from 3.12–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Gd and nine Zn atoms to form distorted ZnGd3Zn9 cuboctahedra that share corners with twenty-three ZnGd2Zn10 cuboctahedra, edges with ten ZnGd2Zn10 cuboctahedra, and faces with twenty ZnGd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Gd and ten Zn atoms to form distorted ZnGd2Zn10 cuboctahedra that share corners with twenty-four ZnGd2Zn10 cuboctahedra, edges with five ZnGd2Zn10 cuboctahedra, and faces with twenty-one ZnGd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Gd and ten Zn atoms to form ZnGd2Zn10 cuboctahedra that share corners with twenty-two ZnGd2Zn10 cuboctahedra, edges with ten ZnGd3Zn9 cuboctahedra, and faces with eighteen ZnGd3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.74 Å. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to one Gd and thirteen Zn atoms. The Zn–Zn bond length is 2.65 Å.