Materials Data on YMg(NiH)4 by Materials Project

Abstract

YMgNi4H4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Ni atoms. All Mg–Y bond lengths are 3.21 Å. All Mg–Ni bond lengths are 3.06 Å. Y is bonded to four equivalent Mg and four equivalent H atoms to form corner-sharing YMg4H4 tetrahedra. All Y–H bond lengths are 2.06 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Mg and three equivalent H atoms. All Ni–H bond lengths are 1.70 Å. H is bonded to one Y and three equivalent Ni atoms to form a mixture of edge and corner-sharing HYNi3 tetrahedra.