Materials Data on Gd3(SiNi3)2 by Materials Project

Abstract

Gd3Ni6Si2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.84 Å) and four longer (2.95 Å) Gd–Ni bond lengths. All Gd–Si bond lengths are 3.14 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Gd, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.55 Å. Both Ni–Si bond lengths are 2.43 Å. Si is bonded to six equivalent Gd and six equivalent Ni atoms to form a mixture of face and corner-sharing SiGd6Ni6 cuboctahedra.