Cs2TlSbBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent Tl(1)Br6 octahedra, and faces with four equivalent Sb(1)Br6 octahedra. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Sb(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share corners with six equivalent Tl(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Tl(1), and one Sb(1) atom.
Cs2TlSbBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent Tl(1)Br6 octahedra, and faces with four equivalent Sb(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 4.24 Å. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Sb(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Tl(1)-Br(1) bond lengths are 3.17 Å. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share corners with six equivalent Tl(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sb(1)-Br(1) bond lengths are 2.82 Å. Br(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Tl(1), and one Sb(1) atom.