Rb2LiMoBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Li(1)Br6 octahedra, and faces with four equivalent Mo(1)Br6 octahedra. Li(1) is bonded to six equivalent Br(1) atoms to form LiBr6 octahedra that share corners with six equivalent Mo(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent Br(1) atoms to form MoBr6 octahedra that share corners with six equivalent Li(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(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 BrRb4LiMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Rb2LiMoBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Li(1)Br6 octahedra, and faces with four equivalent Mo(1)Br6 octahedra. All Rb(1)-Br(1) bond lengths are 3.82 Å. Li(1) is bonded to six equivalent Br(1) atoms to form LiBr6 octahedra that share corners with six equivalent Mo(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Li(1)-Br(1) bond lengths are 2.77 Å. Mo(1) is bonded to six equivalent Br(1) atoms to form MoBr6 octahedra that share corners with six equivalent Li(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Mo(1)-Br(1) bond lengths are 2.62 Å. Br(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 BrRb4LiMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°.