Materials Data on Gd(Cd10Ni)2 by Materials Project

Abstract

Gd(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.42 Å) and twelve longer (3.45 Å) Gd–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdGdCd10Ni cuboctahedra, and faces with six equivalent CdGdCd10Ni cuboctahedra. There are six shorter (2.80 Å) and six longer (3.10 Å) Ni–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted linear geometry to two equivalent Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.98–3.13 Å. In the second Cd site, Cd is bonded to one Gd, one Ni, and ten Cd atoms to form CdGdCd10Ni cuboctahedra that share corners with fifteen equivalent CdGdCd10Ni cuboctahedra, edges with two equivalent CdGdCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdGdCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.90–3.35 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Gd and twelve equivalent Cd atoms.