Materials Data on NdSi2Ni by Materials Project

Abstract

NdNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Nd–Ni bond lengths are 3.15 Å. There are a spread of Nd–Si bond distances ranging from 3.10–3.18 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Nd and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.36 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.43 Å.