Ti3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent N(1) atoms. Al(1) is bonded to twelve equivalent Ti(1) atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent Al(1)Ti12 cuboctahedra, faces with six equivalent Al(1)Ti12 cuboctahedra, and faces with eight equivalent N(1)Ti6 octahedra. N(1) is bonded to six equivalent Ti(1) atoms to form NTi6 octahedra that share corners with six equivalent N(1)Ti6 octahedra and faces with eight equivalent Al(1)Ti12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ti3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent N(1) atoms. All Ti(1)-Al(1) bond lengths are 2.91 Å. Both Ti(1)-N(1) bond lengths are 2.06 Å. Al(1) is bonded to twelve equivalent Ti(1) atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent Al(1)Ti12 cuboctahedra, faces with six equivalent Al(1)Ti12 cuboctahedra, and faces with eight equivalent N(1)Ti6 octahedra. N(1) is bonded to six equivalent Ti(1) atoms to form NTi6 octahedra that share corners with six equivalent N(1)Ti6 octahedra and faces with eight equivalent Al(1)Ti12 cuboctahedra. The corner-sharing octahedra are not tilted.