CsSbF6 crystallizes in the trigonal R-3 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with six equivalent Sb(1)F6 octahedra, edges with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Sb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. Sb(1) is bonded to six equivalent F(1) atoms to form SbF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra and faces with two equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Sb(1) atom.
CsSbF6 crystallizes in the trigonal R-3 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with six equivalent Sb(1)F6 octahedra, edges with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Sb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are six shorter (3.09 Å) and six longer (3.29 Å) Cs(1)-F(1) bond lengths. Sb(1) is bonded to six equivalent F(1) atoms to form SbF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra and faces with two equivalent Cs(1)F12 cuboctahedra. All Sb(1)-F(1) bond lengths are 1.90 Å. F(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Sb(1) atom.