Materials Data on Sr4Li(BN2)3 by Materials Project
LiSr4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent N3- atoms to form LiN6 octahedra that share faces with eight equivalent SrN6 octahedra. All Li–N bond lengths are 2.40 Å. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and faces with two equivalent LiN6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Sr–N bond lengths are 2.70 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 1-coordinate geometry to one Li1+, four equivalent Sr2+, and one B3+ atom.
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