Materials Data on Gd2Ni17 by Materials Project

Abstract

Gd2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.92–3.22 Å. In the second Gd site, Gd is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.82–3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two Gd and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.70 Å. In the second Ni site, Ni is bonded to three Gd and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiGd3Ni9 cuboctahedra. There are four shorter (2.40 Å) and one longer (2.60 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to two equivalent Gd and ten Ni atoms to form a mixture of edge, face, and corner-sharing NiGd2Ni10 cuboctahedra. Both Ni–Ni bond lengths are 2.53 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Gd and thirteen Ni atoms. The Ni–Ni bond length is 2.37 Å.