Materials Data on LiNiH2 by Materials Project
LiNiH2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Li–H bond lengths are 2.13 Å. Ni1+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Ni–H bond lengths are 1.62 Å. H1- is bonded to four equivalent Li1+ and two equivalent Ni1+ atoms to form a mixture of corner, edge, and face-sharing HLi4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.
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