Materials Data on NdNiSnH by Materials Project

Abstract

NdNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of Nd–Sn bond distances ranging from 3.25–3.39 Å. There are one shorter (2.31 Å) and two longer (2.43 Å) Nd–H bond lengths. Ni is bonded in a single-bond geometry to four equivalent Sn and one H atom. There are a spread of Ni–Sn bond distances ranging from 2.65–2.94 Å. The Ni–H bond length is 1.60 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Nd and four equivalent Ni atoms. H is bonded to three equivalent Nd and one Ni atom to form a mixture of edge and corner-sharing HNd3Ni tetrahedra.