Rb2LiMoI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent I(1) atoms to form RbI12 cuboctahedra that share corners with twelve equivalent Rb(1)I12 cuboctahedra, faces with six equivalent Rb(1)I12 cuboctahedra, faces with four equivalent Li(1)I6 octahedra, and faces with four equivalent Mo(1)I6 octahedra. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Mo(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent I(1) atoms to form MoI6 octahedra that share corners with six equivalent Li(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded to four equivalent Rb(1), one Li(1), and one Mo(1) atom to form a mixture of distorted edge, corner, and face-sharing IRb4LiMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Rb2LiMoI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent I(1) atoms to form RbI12 cuboctahedra that share corners with twelve equivalent Rb(1)I12 cuboctahedra, faces with six equivalent Rb(1)I12 cuboctahedra, faces with four equivalent Li(1)I6 octahedra, and faces with four equivalent Mo(1)I6 octahedra. All Rb(1)-I(1) bond lengths are 4.12 Å. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Mo(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Li(1)-I(1) bond lengths are 3.00 Å. Mo(1) is bonded to six equivalent I(1) atoms to form MoI6 octahedra that share corners with six equivalent Li(1)I6 octahedra and faces with eight equivalent Rb(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Mo(1)-I(1) bond lengths are 2.83 Å. I(1) is bonded to four equivalent Rb(1), one Li(1), and one Mo(1) atom to form a mixture of distorted edge, corner, and face-sharing IRb4LiMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°.