Materials Data on Li6Cu5F14 by Materials Project

Kristin Persson
Li6Cu5F14 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with two equivalent CuF6 pentagonal pyramids, corners with three LiF4 tetrahedra, and edges with two equivalent CuF6 pentagonal pyramids. There are a spread of Li–F bond distances ranging from 1.86–1.91 Å. In the second Li1+ site, Li1+...
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