Materials Data on Li5Br2N by Materials Project
Li5NBr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to one N3- and three equivalent Br1- atoms. The Li–N bond length is 1.94 Å. There are two shorter (2.68 Å) and one longer (2.78 Å) Li–Br bond lengths. In the second Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.96 Å. N3- is bonded to six Li1+ atoms to form corner-sharing NLi6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a 6-coordinate geometry to six equivalent Li1+ atoms.
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