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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1313000
- Report Number(s):
- mp-9143
- Country of Publication:
- United States
- Language:
- English
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