Materials Data on Zr3N2 by Materials Project
Zr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.28 Å) and two longer (2.32 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr2+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°.
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