RbFe 2+Fe 3+F 6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride

Kim, S.W. and Kim, S.-H. and Halasyamani, P.S. and Green, M.A. and Bhatti, K.P. and Leighton, C. and Das, H. and Fennie, C.J. (2012) RbFe 2+Fe 3+F 6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride. Chemical Science, 3 (3). pp. 741-751. ISSN 20416520 (ISSN). (doi:https://doi.org/10.1039/c2sc00765g) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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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, RbFe 2F 6 (RbFe 2+Fe 3+F 6) was synthesized through mild hydrothermal conditions. The material exhibits a three-dimensional pyrochlore-related structure consisting of corner-shared Fe 2+F 6 and Fe 3+F 6 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: RbFe 2F 6, orthorhombic, space group Pnma (no. 62), a = 7.0177(6), b = 7.4499(6), c = 10.1765(8) �, V = 532.04(8) � 3, Z = 4. © 2012 The Royal Society of Chemistry.

Item Type: Article
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Chem. Sci. [Field not mapped to EPrints] AD - Department of Chemistry, University of Houston, 136 Fleming Building, Houston, TX 77204-5003, United States [Field not mapped to EPrints] AD - Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742-2115, United States [Field not mapped to EPrints] AD - NIST Center for Neutron Research, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, MD 20899-6103, United States [Field not mapped to EPrints] AD - Department of Chemical Engineering and Materials Science, University of Minnesota, 151 Amundson Hall, 421 Washington Ave. SE, Minneapolis, MN 55455, United States [Field not mapped to EPrints] AD - School of Applied and Engineering Physics, Cornell University, 271 Clark Hall, Ithaca, NY 14853, United States [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: Antiferro-magnetic interactions, Crystal data, Curie-Weiss temperature, Electronic structure calculations, First-principles density functional theory, Magnetic data, Magnetometry measurements, Mild hydrothermal condition, Neutron diffraction data, Single-crystal diffraction, Space Groups, Structural phase transformations, Variable temperature, Calculations, Differential thermal analysis, Electronic structure, Neutron diffraction, Crystal structure
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QD Chemistry > QD478 Solid State Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Giles Tarver
Date Deposited: 14 Oct 2015 11:30 UTC
Last Modified: 14 Oct 2015 11:30 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/50969 (The current URI for this page, for reference purposes)
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