Materials Data on Zr2AlN by Materials Project
Zr2AlN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent N atoms. All Zr–Al bond lengths are 2.99 Å. All Zr–N bond lengths are 2.28 Å. Al is bonded in a 6-coordinate geometry to six equivalent Zr atoms. N is bonded to six equivalent Zr atoms to form edge-sharing NZr6 octahedra.
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