Cs3GaBr6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Cs sites. In the first Cs site, 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 Cs(2)Br6 octahedra, and faces with four equivalent Ga(1)Br6 octahedra. In the second Cs site, Cs(2) is bonded to six equivalent Br(1) atoms to form CsBr6 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 Cs(2)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 one Cs(2), four equivalent Cs(1), and one Ga(1) atom.
Cs3GaBr6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Cs sites. In the first Cs site, 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 Cs(2)Br6 octahedra, and faces with four equivalent Ga(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 4.24 Å. In the second Cs site, Cs(2) is bonded to six equivalent Br(1) atoms to form CsBr6 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 Cs(2)-Br(1) bond lengths are 3.40 Å. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 octahedra that share corners with six equivalent Cs(2)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 2.57 Å. Br(1) is bonded in a distorted linear geometry to one Cs(2), four equivalent Cs(1), and one Ga(1) atom.