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Ti2N is trigonal omega-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a T-shaped geometry to three equivalent N atoms. There are one shorter (2.05 Å) and two longer (2.08 Å) Ti–N bond lengths. N is bonded to six equivalent Ti atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 9°.
Ti2N is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ti is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Ti–N bond lengths are 2.08 Å. N is bonded to six equivalent Ti atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 47°.