Materials Data on Ba2ZnN2 by Materials Project
Ba2ZnN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing BaN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.99 Å) Ba–N bond lengths. Zn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Zn–N bond lengths are 1.85 Å. N3- is bonded to five equivalent Ba2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing NBa5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
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