Materials Data on LaNiSnH by Materials Project

Abstract

LaNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of La–Sn bond distances ranging from 3.31–3.46 Å. There are one shorter (2.37 Å) and two longer (2.48 Å) La–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 2.68–3.07 Å. The Ni–H bond length is 1.60 Å. Sn is bonded in a 12-coordinate geometry to six equivalent La and four equivalent Ni atoms. H is bonded to three equivalent La and one Ni atom to form a mixture of edge and corner-sharing HLa3Ni tetrahedra.