Materials Data on Ti3N2 by Materials Project
Ti3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.08 Å) and two longer (2.13 Å) Ti–N bond lengths. N3- is bonded to six equivalent Ti2+ atoms to form a mixture of face, edge, and corner-sharing NTi6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°.
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