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Issue 3, 2012
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RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride

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Abstract

A new charge-ordered magnetically frustrated mixed-metal fluoride with a pyrochlore-related structure has been synthesized and characterized. The material, RbFe2F6 (RbFe2+Fe3+F6) was synthesized through mild hydrothermal conditions. The material exhibits a three-dimensional pyrochlore-related structure consisting of corner-shared Fe2+F6 and Fe3+F6 octahedra. In addition to single-crystal diffraction data, neutron powder diffraction and magnetometry measurements were carried out. Magnetic data clearly reveal strong antiferromagnetic interactions (a Curie–Weiss temperature of −270 K) but sufficient frustration to prevent ordering until 16 K. No structural phase transformation is detected from the variable-temperature neutron diffraction data. Infrared, UV-vis, thermogravimetric, and differential thermal analysis measurements were also performed. First-principles density functional theory (DFT) electronic structure calculations were also done. Crystal data: RbFe2F6, orthorhombic, space groupPnma (no. 62), a = 7.0177(6), b = 7.4499(6), c = 10.1765(8) Å, V = 532.04(8) Å3, Z = 4.

Graphical abstract: RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride

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Publication details

The article was received on 06 Oct 2011, accepted on 22 Nov 2011 and first published on 24 Nov 2011


Article type: Edge Article
DOI: 10.1039/C2SC00765G
Citation: Chem. Sci., 2012,3, 741-751
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    RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride

    S. W. Kim, S. Kim, P. S. Halasyamani, M. A. Green, K. P. Bhatti, C. Leighton, H. Das and C. J. Fennie, Chem. Sci., 2012, 3, 741
    DOI: 10.1039/C2SC00765G

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