Cs2KNdI6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form distorted CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, faces with four equivalent K(1)I6 octahedra, and faces with four equivalent Nd(1)I6 octahedra. K(1) is bonded to six equivalent I(1) atoms to form KI6 octahedra that share corners with six equivalent Nd(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Nd(1) is bonded to six equivalent I(1) atoms to form NdI6 octahedra that share corners with six equivalent K(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 K(1), and one Nd(1) atom.
Cs2KNdI6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form distorted CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, faces with four equivalent K(1)I6 octahedra, and faces with four equivalent Nd(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.60 Å. K(1) is bonded to six equivalent I(1) atoms to form KI6 octahedra that share corners with six equivalent Nd(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All K(1)-I(1) bond lengths are 3.39 Å. Nd(1) is bonded to six equivalent I(1) atoms to form NdI6 octahedra that share corners with six equivalent K(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Nd(1)-I(1) bond lengths are 3.11 Å. I(1) is bonded in a linear geometry to four equivalent Cs(1), one K(1), and one Nd(1) atom.