Materials Data on BaTiN2 by Materials Project
BaTiN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Ba–N bond lengths are 2.74 Å. Ti4+ is bonded to six equivalent N3- atoms to form edge-sharing TiN6 octahedra. All Ti–N bond lengths are 2.18 Å. N3- is bonded to three equivalent Ba2+ and three equivalent Ti4+ atoms to form a mixture of distorted edge, face, and corner-sharing NBa3Ti3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
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