Materials Data on Li4FeN2 by Materials Project
Li4FeN2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. There are two shorter (2.10 Å) and one longer (2.13 Å) Li–N bond lengths. Fe2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.82 Å. N3- is bonded to six equivalent Li1+ and one Fe2+ atom to form a mixture of corner and edge-sharing NLi6Fe hexagonal pyramids.
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