Materials Data on Li2FeF4 by Materials Project

Kristin Persson
Li2FeF4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with five FeF6 octahedra, corners with three LiF4 tetrahedra, and a cornercorner with one LiF4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 16–71°. There are a spread of Li–F bond distances ranging from 1.84–1.90 Å. In...
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