Information card for entry 1554054

Structure parameters

• Common name: (G3)1:LiPF6
• Formula: C8 H18 F6 Li O4 P
• Calculated formula: C8 H18 F6 Li O4 P
• Title of publication: Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes
• Authors of publication: Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 16
• Pages of publication: 8492
• a: 6.1967 ± 0.0015 Å
• b: 12.558 ± 0.003 Å
• c: 18.169 ± 0.004 Å
• α: 90°
• β: 95.745 ± 0.003°
• γ: 90°
• Cell volume: 1406.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No