Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO(4)]F |
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Authors: | Hamdi Ben Yahia Masahiro Shikano Hikari Sakaebe Shinji Koike Mitsuharu Tabuchi Hironori Kobayashi Hitoshi Kawaji Maxim Avdeev Wojciech Miiller Christopher D Ling |
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Institution: | Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), Midorigaoka 1-8-31, Ikeda, Osaka 563-8577, Japan. benyahia.hamdi@voila.fr shikano.masahiro@aist.go.jp. |
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Abstract: | The new compound LiNaFePO(4)]F was synthesized by a solid state reaction route, and its crystal structure was determined using neutron powder diffraction data. LiNaFePO(4)]F was characterized by (57)Fe M?ssbauer spectroscopy, magnetic susceptibility, specific heat capacity, and electrochemical measurements. LiNaFePO(4)]F crystallizes with orthorhombic symmetry, space group Pnma, with a = 10.9568(6) ?, b = 6.3959(3) ?, c = 11.4400(7) ?, V = 801.7(1) ?(3) and Z = 8. The structure consists of edge-sharing FeO(4)F(2) octahedra forming FeFO(3) chains running along the b axis. These chains are interlinked by PO(4) 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 LiNaFePO(4)]F undergoes a three-dimensional antiferromagnetic ordering at T(N) = 20 K. The neutron powder diffraction measurements at 3 K show that each FeFO(3) 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). |
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