Cs2RbAsI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, faces with four equivalent Rb(1)I6 octahedra, and faces with four equivalent As(1)I6 octahedra. Rb(1) is bonded to six equivalent I(1) atoms to form RbI6 octahedra that share corners with six equivalent As(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent I(1) atoms to form AsI6 octahedra that share corners with six equivalent Rb(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to four equivalent Cs(1), one Rb(1), and one As(1) atom.
Cs2RbAsI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, faces with four equivalent Rb(1)I6 octahedra, and faces with four equivalent As(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.51 Å. Rb(1) is bonded to six equivalent I(1) atoms to form RbI6 octahedra that share corners with six equivalent As(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Rb(1)-I(1) bond lengths are 3.49 Å. As(1) is bonded to six equivalent I(1) atoms to form AsI6 octahedra that share corners with six equivalent Rb(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All As(1)-I(1) bond lengths are 2.88 Å. I(1) is bonded in a linear geometry to four equivalent Cs(1), one Rb(1), and one As(1) atom.