Ti3TlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded in a linear geometry to four equivalent Tl(1) and two equivalent N(1) atoms. Tl(1) is bonded to twelve equivalent Ti(1) atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent Tl(1)Ti12 cuboctahedra, faces with six equivalent Tl(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 Tl(1)Ti12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ti3TlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded in a linear geometry to four equivalent Tl(1) and two equivalent N(1) atoms. All Ti(1)-Tl(1) bond lengths are 2.98 Å. Both Ti(1)-N(1) bond lengths are 2.11 Å. Tl(1) is bonded to twelve equivalent Ti(1) atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent Tl(1)Ti12 cuboctahedra, faces with six equivalent Tl(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 Tl(1)Ti12 cuboctahedra. The corner-sharing octahedra are not tilted.