Cs2ScAgBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent Sc(1)Br6 octahedra, and faces with four equivalent Ag(1)Br6 octahedra. Sc(1) is bonded to six equivalent Br(1) atoms to form ScBr6 octahedra that share corners with six equivalent Ag(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to six equivalent Br(1) atoms to form AgBr6 octahedra that share corners with six equivalent Sc(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Cs(1), one Sc(1), and one Ag(1) atom to form a mixture of distorted edge, corner, and face-sharing BrCs4ScAg octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2ScAgBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent Sc(1)Br6 octahedra, and faces with four equivalent Ag(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 3.95 Å. Sc(1) is bonded to six equivalent Br(1) atoms to form ScBr6 octahedra that share corners with six equivalent Ag(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sc(1)-Br(1) bond lengths are 2.68 Å. Ag(1) is bonded to six equivalent Br(1) atoms to form AgBr6 octahedra that share corners with six equivalent Sc(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ag(1)-Br(1) bond lengths are 2.90 Å. Br(1) is bonded to four equivalent Cs(1), one Sc(1), and one Ag(1) atom to form a mixture of distorted edge, corner, and face-sharing BrCs4ScAg octahedra. The corner-sharing octahedral tilt angles range from 0-60°.