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Issue 5, 2014
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Structural relationships among LiNaMg[PO4]F and Na2M[PO4]F (M = Mn–Ni, and Mg), and the magnetic structure of LiNaNi[PO4]F

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Abstract

The new compound LiNaMg[PO4]F has been synthesized by a wet chemical reaction route. Its crystal structure was determined from single-crystal X-ray diffraction data. LiNaMg[PO4]F crystallizes with the monoclinic pseudomerohedrally twinned LiNaNi[PO4]F structure, space group P21/c, a = 6.772(4), b = 11.154(6), c = 5.021(3) Å, β = 90.00(1)° and Z = 4. The structure contains [MgO3F]n chains made up of zigzag edge-sharing MgO4F2 octahedra. These chains are interlinked by PO4 tetrahedra forming 2D-Mg[PO4]F layers. The alkali metal atoms are well ordered in between these layers over two atomic positions. The use of group–subgroup transformation schemes in the Bärnighausen formalism enabled us to determine precise phase transition mechanisms from LiNaNi[PO4]F- to Na2M[PO4]F-type structures (M = Mn–Ni, and Mg) (see video clip 1 and 2). The crystal and magnetic structure and properties of the parent LiNaNi[PO4]F phase were also studied by magnetometry and neutron powder diffraction. Despite the rather long interlayer distance, dmin(Ni+2–Ni+2) ∼ 6.8 Å, the material develops a long-range magnetic order below 5 K. The magnetic structure can be viewed as antiferromagnetically coupled ferromagnetic layers with moments parallel to the b-axis.

Graphical abstract: Structural relationships among LiNaMg[PO4]F and Na2M[PO4]F (M = Mn–Ni, and Mg), and the magnetic structure of LiNaNi[PO4]F

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Publication details

The article was received on 19 Sep 2013, accepted on 07 Nov 2013 and first published on 11 Nov 2013


Article type: Paper
DOI: 10.1039/C3DT52587B
Citation: Dalton Trans., 2014,43, 2044-2051
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    Structural relationships among LiNaMg[PO4]F and Na2M[PO4]F (M = Mn–Ni, and Mg), and the magnetic structure of LiNaNi[PO4]F

    H. Ben Yahia, M. Shikano, H. Kobayashi, M. Avdeev, S. Liu and C. D. Ling, Dalton Trans., 2014, 43, 2044
    DOI: 10.1039/C3DT52587B

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