Cs2NaSbI6 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 Na(1)I6 octahedra, and faces with four equivalent Sb(1)I6 octahedra. Na(1) is bonded to six equivalent I(1) atoms to form NaI6 octahedra that share corners with six equivalent Sb(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent I(1) atoms to form SbI6 octahedra that share corners with six equivalent Na(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded to four equivalent Cs(1), one Na(1), and one Sb(1) atom to form a mixture of distorted edge, face, and corner-sharing ICs4NaSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2NaSbI6 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 Na(1)I6 octahedra, and faces with four equivalent Sb(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.39 Å. Na(1) is bonded to six equivalent I(1) atoms to form NaI6 octahedra that share corners with six equivalent Sb(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Na(1)-I(1) bond lengths are 3.17 Å. Sb(1) is bonded to six equivalent I(1) atoms to form SbI6 octahedra that share corners with six equivalent Na(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sb(1)-I(1) bond lengths are 3.03 Å. I(1) is bonded to four equivalent Cs(1), one Na(1), and one Sb(1) atom to form a mixture of distorted edge, face, and corner-sharing ICs4NaSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.