Ba6Tl2NCl is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a linear geometry to four equivalent Tl(1), one N(1), and one Cl(1) atom. Tl(1) is bonded to twelve equivalent Ba(1) atoms to form TlBa12 cuboctahedra that share corners with twelve equivalent Tl(1)Ba12 cuboctahedra, faces with six equivalent Tl(1)Ba12 cuboctahedra, faces with four equivalent N(1)Ba6 octahedra, and faces with four equivalent Cl(1)Ba6 octahedra. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Cl(1)Ba6 octahedra and faces with eight equivalent Tl(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to six equivalent Ba(1) atoms to form ClBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra and faces with eight equivalent Tl(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ba6Tl2NCl is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded in a linear geometry to four equivalent Tl(1), one N(1), and one Cl(1) atom. All Ba(1)-Tl(1) bond lengths are 4.15 Å. The Ba(1)-N(1) bond length is 2.73 Å. The Ba(1)-Cl(1) bond length is 3.14 Å. Tl(1) is bonded to twelve equivalent Ba(1) atoms to form TlBa12 cuboctahedra that share corners with twelve equivalent Tl(1)Ba12 cuboctahedra, faces with six equivalent Tl(1)Ba12 cuboctahedra, faces with four equivalent N(1)Ba6 octahedra, and faces with four equivalent Cl(1)Ba6 octahedra. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Cl(1)Ba6 octahedra and faces with eight equivalent Tl(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to six equivalent Ba(1) atoms to form ClBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra and faces with eight equivalent Tl(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted.