TiAlN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with six equivalent Al(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. Al(1) is bonded to six equivalent N(1) atoms to form AlN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. N(1) is bonded to three equivalent Ti(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing NTi3Al3 octahedra. The corner-sharing octahedra are not tilted.
TiAlN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with six equivalent Al(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ti(1)-N(1) bond lengths are 2.14 Å. Al(1) is bonded to six equivalent N(1) atoms to form AlN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Al(1)-N(1) bond lengths are 2.04 Å. N(1) is bonded to three equivalent Ti(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing NTi3Al3 octahedra. The corner-sharing octahedra are not tilted.