Materials Data on LiFe2F5 by Materials Project

Kristin Persson
LiFe2F5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent FeF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.84–1.90 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Fe–F bond distances ranging...
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