Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO 4]F

Hamdi Yahia, Masahiro Shikano, Hikari Sakaebe, Shinji Koike, Mitsuharu Tabuchi, Hironori Kobayashi, Hitoshi Kawaji, Maxim Avdeev, Wojciech Miiller, Christopher D. Ling

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The new compound LiNaFe[PO4]F was synthesized by a solid state reaction route, and its crystal structure was determined using neutron powder diffraction data. LiNaFe[PO4]F was characterized by 57Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat capacity, and electrochemical measurements. LiNaFe[PO4]F crystallizes with orthorhombic symmetry, space group Pnma, with a = 10.9568(6) Å, b = 6.3959(3) Å, c = 11.4400(7) Å, V = 801.7(1) Å3 and Z = 8. The structure consists of edge-sharing FeO4F2 octahedra forming FeFO3 chains running along the b axis. These chains are interlinked by PO4 tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The specific heat and magnetization measurements show that LiNaFe[PO4]F undergoes a three-dimensional antiferromagnetic ordering at TN = 20 K. The neutron powder diffraction measurements at 3 K show that each FeFO3 chain along the b-direction is ferromagnetic (FM), while these FM chains are antiferromagnetically coupled along the a and c-directions with a non-collinear spin arrangement. The galvanometric cycling showed that without any optimization, one mole of alkali metal is extractable between 1.0 V and 5.0 V vs. Li+/Li with a discharge capacity between 135 and 145 mAh g -1.

Original languageEnglish
Pages (from-to)11692-11699
Number of pages8
JournalDalton Transactions
Volume41
Issue number38
DOIs
Publication statusPublished - 14 Oct 2012
Externally publishedYes

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fluorophosphate
Neutron Diffraction
Powder Diffraction
Electrochemical properties
Specific heat
Neutron powder diffraction
Hot Temperature
Crystal structure
Alkali Metals
Lithium
Spectrum Analysis
Sodium
Solid state reactions
Magnetic susceptibility
Magnetization
Tunnels
Spectroscopy
Atoms
Direction compound

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO 4]F. / Yahia, Hamdi; Shikano, Masahiro; Sakaebe, Hikari; Koike, Shinji; Tabuchi, Mitsuharu; Kobayashi, Hironori; Kawaji, Hitoshi; Avdeev, Maxim; Miiller, Wojciech; Ling, Christopher D.

In: Dalton Transactions, Vol. 41, No. 38, 14.10.2012, p. 11692-11699.

Research output: Contribution to journalArticle

Yahia, H, Shikano, M, Sakaebe, H, Koike, S, Tabuchi, M, Kobayashi, H, Kawaji, H, Avdeev, M, Miiller, W & Ling, CD 2012, 'Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO 4]F', Dalton Transactions, vol. 41, no. 38, pp. 11692-11699. https://doi.org/10.1039/c2dt30739a
Yahia, Hamdi ; Shikano, Masahiro ; Sakaebe, Hikari ; Koike, Shinji ; Tabuchi, Mitsuharu ; Kobayashi, Hironori ; Kawaji, Hitoshi ; Avdeev, Maxim ; Miiller, Wojciech ; Ling, Christopher D. / Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO 4]F. In: Dalton Transactions. 2012 ; Vol. 41, No. 38. pp. 11692-11699.
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