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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeNiSnH2 by Materials Project

CeNiSnH2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to six equivalent H atoms. All Ce–H bond lengths are 2.57 Å. Ni is bonded in a linear geometry to three equivalent Sn and two equivalent H atoms. All Ni–Sn bond lengths are 2.52 Å. Both Ni–H bond lengths are 1.62 Å. Sn is bonded in a distorted trigonal planar geometry to three equivalent Ni atoms. H is bonded in a 1-coordinate geometry to three equivalent Ce and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeNiSnH by Materials Project

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.

36 MATERIALS SCIENCE↗