Materials Data on Li2FeF4 by Materials Project

Kristin Persson
Li2FeF4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with two equivalent FeF6 octahedra, corners with four equivalent LiF4 tetrahedra, edges with three equivalent LiF6 octahedra, and edges with four equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Li–F bond...
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