Materials Data on LiPF6 by Materials Project
LiPF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent PF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All Li–F bond lengths are 2.08 Å. P5+ is bonded to six equivalent F1- atoms to form PF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All P–F bond lengths are 1.64 Å. F1- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom.
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