Materials Data on LiCa3RuO6 by Materials Project
Ca3LiRuO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent RuO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.76 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Ru5+ atom.
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