Ti2N2S crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and three equivalent S(1) atoms. N(1) is bonded to four equivalent Ti(1) atoms to form NTi4 tetrahedra that share corners with six equivalent S(1)Ti6 octahedra, corners with six equivalent N(1)Ti4 tetrahedra, edges with three equivalent S(1)Ti6 octahedra, and edges with three equivalent N(1)Ti4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. S(1) is bonded to six equivalent Ti(1) atoms to form distorted STi6 octahedra that share corners with twelve equivalent N(1)Ti4 tetrahedra, edges with six equivalent S(1)Ti6 octahedra, and edges with six equivalent N(1)Ti4 tetrahedra.
Ti2N2S crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and three equivalent S(1) atoms. There are three shorter (2.00 Å) and one longer (2.06 Å) Ti(1)-N(1) bond length. All Ti(1)-S(1) bond lengths are 2.70 Å. N(1) is bonded to four equivalent Ti(1) atoms to form NTi4 tetrahedra that share corners with six equivalent S(1)Ti6 octahedra, corners with six equivalent N(1)Ti4 tetrahedra, edges with three equivalent S(1)Ti6 octahedra, and edges with three equivalent N(1)Ti4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. S(1) is bonded to six equivalent Ti(1) atoms to form distorted STi6 octahedra that share corners with twelve equivalent N(1)Ti4 tetrahedra, edges with six equivalent S(1)Ti6 octahedra, and edges with six equivalent N(1)Ti4 tetrahedra.