Materials Data on CeNiSnH by Materials Project

Abstract

CeNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of Ce–Sn bond distances ranging from 3.23–3.39 Å. There are one shorter (2.28 Å) and two longer (2.41 Å) Ce–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 2.68–2.83 Å. The Ni–H bond length is 1.66 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Ce and four equivalent Ni atoms. H is bonded to three equivalent Ce and one Ni atom to form a mixture of edge and corner-sharing HCe3Ni tetrahedra.