Li2FeN crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Li(1) and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing NLi6Fe2 hexagonal bipyramids.
Li2FeN crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All Li(1)-N(1) bond lengths are 2.11 Å. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Fe(1)-N(1) bond lengths are 1.87 Å. N(1) is bonded to six equivalent Li(1) and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing NLi6Fe2 hexagonal bipyramids.