Materials Data on Gd2Si3Ni by Materials Project

Abstract

Gd2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing GdSi9Ni3 cuboctahedra. There are two shorter (3.04 Å) and one longer (3.05 Å) Gd–Ni bond lengths. There are a spread of Gd–Si bond distances ranging from 3.04–3.14 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Ni–Si bond lengths are 2.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms. There are two shorter (2.34 Å) and one longer (2.35 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Si atoms.