Lithium hexafluorozirconate

Lithium hexafluorozirconate
Names
Other names
  • Dilithium hexafluorozirconate
  • Zirconium lithium hexafluoride
  • Lithium hexafluorozirconate(IV)
Identifiers
3D model (JSmol)
ChemSpider
EC Number
  • 241-307-1
  • InChI=1S/6FH.2Li.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6
    Key: WZTMZLBJVVIBSA-UHFFFAOYSA-H
  • [Zr+4]([F-])([F-])([F-])([F-])([F-])[F-].[Li+]
Properties
F6Li2Zr
Molar mass 219.09 g·mol−1
Structure[1]
hexagonal
P31m
a = 4.9733 Å, c = 4.658 Å
1 unit per cell
Related compounds
Other cations
Related compounds
 Hexafluorozirconic acid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Lithium hexafluorozirconate is an inorganic compound of lithium, fluorine, and zirconium with the chemical formula Li2ZrF6.[2][3][4] It is the lithium salt of hexafluorozirconic acid.

Structure

Lithium hexafluorozirconate forms tetragonal crystals under standard conditions;[1] a monoclinic phase has been observed under high pressure.[5]

Preparation

Lithium hexafluorozirconate can be prepared by treating lithium fluoride with hexafluorozirconic acid solution.[6]

Uses

Lithium hexafluorozirconate is of research interest as an electrolyte in lithium metal batteries.[7] The in situ formation of a trigonal Li2ZrF6 solid–electrolyte interphase was reported to enhance Li-ion transfer and suppress the growth of Li dendrites.[7]

Tetralithium octafluoridozirconate (Li4ZrF8) has been characterized.[8] It is prepared by hydrothermal synthesis.

A hexafluorozirconate composed of lithium and magnesium cations (Li2Mg(ZrF6)2) has also been characterized along with the tetrahydrate.[9]

References

  1. ^ a b Brunton, G. (1973-10-15). "Li2ZrF6". Acta Crystallographica Section B: Structural Crystallography and Crystal Chemistry. 29 (10): 2294–2296. doi:10.1107/S0567740873006515. ISSN 0567-7408.
  2. ^ "Lithium hexafluorozirconate". NIST. Retrieved 26 February 2024.
  3. ^ "Lithium hexafluorozirconate and carbon co-coated lithium iron phosphate composite material, and preparation method and application thereof". eureka.patsnap.com. 27 December 2019. Retrieved 26 February 2024.
  4. ^ "dilithium hexafluorozirconate(2-)". chemsrc.com. Retrieved 26 February 2024.
  5. ^ Grzechnik, Andrzej; Dmitriev, Vladimir; Weber, Hans-Peter (2005-10-01). "Dilithium zirconium hexafluoride Li2ZrF6 at high pressures: A new monoclinic phase". Journal of Physics and Chemistry of Solids. 66 (10): 1769–1774. doi:10.1016/j.jpcs.2005.09.002. ISSN 0022-3697.
  6. ^ Fan, Juntian; Dong, Tao; Fang, Daliang; Li, Xuefeng; Mo, Xian’en; Wen, Kaihua; Chen, Shimou; Zhang, Suojiang (2018-10-01). "A lithium salt additive Li2ZrF6 for enhancing the electrochemical performance of high-voltage LiNi0.5Mn1.5O4 cathode". Ionics. 24 (10): 2966. doi:10.1007/s11581-018-2512-8. ISSN 1862-0760.
  7. ^ a b Xu, Qingshuai; Li, Tan; Ju, Zhijin; Chen, Guangxu; Ye, Daiqi; Waterhouse, Geoffrey I. N.; Lu, Yingying; Lai, Xuejun; Zhou, Guangmin; Guo, Lin; Yan, Keyou; Tao, Xinyong; Li, Hong; Qiu, Yongcai (January 2025). "Li2ZrF6-based electrolytes for durable lithium metal batteries". Nature. 637 (8045): 339–346. doi:10.1038/s41586-024-08294-z. ISSN 1476-4687.
  8. ^ Daniel, D. Joseph; Karuppasamy, P.; Vuong, Phan Quoc; Kim, H. J.; Kang, Sinchul; Park, Hyeonseo; Kim, Jungho (2023-12-05). "Hydrothermal crystal growth of tetralithium octafluoridozirconate (Li4ZrF8) and its physicochemical properties". Journal of Alloys and Compounds. 966 171480. doi:10.1016/j.jallcom.2023.171480. ISSN 0925-8388.
  9. ^ Gaivoronskaya, K. A.; Gerasimenko, A. V.; Didenko, N. A.; Slobodyuk, A. B.; Kavun, V. Ya. (2013-02-01). "Li2Mg(ZrF6)2 · 4H2O: Synthesis, X-ray crystallographic, thermal, and MAS NMR study". Russian Journal of Inorganic Chemistry. 58 (2): 189–196. doi:10.1134/S0036023613020058. ISSN 1531-8613.

Further reading

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