Materials Data on Li4H6Ru by Materials Project
Li4RuH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Li–H bond lengths are 2.04 Å. In the second Li1+ site, Li1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are a spread of Li–H bond distances ranging from 2.12–2.33 Å. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.72 Å. H1- is bonded in a 6-coordinate geometry to five Li1+ and one Ru2+ atom.
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