Cs2TlGaBr6 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 Ga(1)Br6 octahedra. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Ga(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 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 to four equivalent Cs(1), one Tl(1), and one Ga(1) atom to form a mixture of distorted edge, corner, and face-sharing BrCs4TlGa octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2TlGaBr6 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 Ga(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 4.09 Å. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Ga(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 3.19 Å. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 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 Ga(1)-Br(1) bond lengths are 2.59 Å. Br(1) is bonded to four equivalent Cs(1), one Tl(1), and one Ga(1) atom to form a mixture of distorted edge, corner, and face-sharing BrCs4TlGa octahedra. The corner-sharing octahedral tilt angles range from 0-60°.