Materials Data on Li6Cr2O7 by Materials Project

Kristin Persson
Li6Cr2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form LiO5 trigonal bipyramids that share corners with six LiO5 square pyramids, corners with three equivalent LiO5 trigonal bipyramids, edges with four equivalent CrO6 octahedra, and edges with four LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 1.95–2.08 Å....
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