KPF6 crystallizes in the trigonal R-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share edges with six equivalent K(1)F12 cuboctahedra and edges with six equivalent P(1)F6 octahedra. P(1) is bonded to six equivalent F(1) atoms to form PF6 octahedra that share edges with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to two equivalent K(1) and one P(1) atom.
KPF6 crystallizes in the trigonal R-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share edges with six equivalent K(1)F12 cuboctahedra and edges with six equivalent P(1)F6 octahedra. All K(1)-F(1) bond lengths are 2.93 Å. P(1) is bonded to six equivalent F(1) atoms to form PF6 octahedra that share edges with six equivalent K(1)F12 cuboctahedra. All P(1)-F(1) bond lengths are 1.62 Å. F(1) is bonded in a single-bond geometry to two equivalent K(1) and one P(1) atom.