RbScBr3 crystallizes in the hexagonal P6_3/mmc space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, corners with six equivalent Sc(1)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, and faces with six equivalent Sc(1)Br6 octahedra. The corner-sharing octahedral tilt angles are 20°. Sc(1) is bonded to six equivalent Br(1) atoms to form ScBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Sc(1)Br6 octahedra. Br(1) is bonded to four equivalent Rb(1) and two equivalent Sc(1) atoms to form a mixture of distorted corner, edge, and face-sharing BrRb4Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°.
RbScBr3 crystallizes in the hexagonal P6_3/mmc space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, corners with six equivalent Sc(1)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, and faces with six equivalent Sc(1)Br6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are six shorter (3.78 Å) and six longer (3.88 Å) Rb(1)-Br(1) bond lengths. Sc(1) is bonded to six equivalent Br(1) atoms to form ScBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Sc(1)Br6 octahedra. All Sc(1)-Br(1) bond lengths are 2.74 Å. Br(1) is bonded to four equivalent Rb(1) and two equivalent Sc(1) atoms to form a mixture of distorted corner, edge, and face-sharing BrRb4Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°.