Variable-temperature neutron diffraction on fluoride-ion conductors (Ba0.5Sr0.5SnF4)
The development of all-solid-state fluoride ion batteries is limited by the lack of knowledge on fluoride ionic transport, primarily caused by the difficulty in describing the atomic structure at different length scales. We are currently investigating the structural features of the prototype BaSnF4 F-ion conductor by combining a large set of experimental data with computational methods. BaSnF4 crystallizes in two different polymorphs, namely the disordered (cubic, space group Fm-3m) and ordered (tetragonal, P4/nmm) structure. Both polymorphs can be obtained with 50% of the barium replaced by strontium (Ba0.5Sr0.5SnF4). The population of F-ions in interstitial sites, thought to be involved in the ionic conduction, is not visible using conventional means but could be seen if neutrons are used. Hence, we wish to measure on D2B the newly obtained tetragonal form of Ba0.5Sr0.5SnF4, at 298 K and at low-temperature (100 K). We expect to see an interstitial site for F-ions already demonstrated in isostructural PbSnF4, and compare results with the pure BaSnF4 tetragonal phase. High resolution data could help solve the structure and assign the different environments observed by 19F NMR.
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MERCADIER Briseis and SUARD Emmanuelle. (2021). Variable-temperature neutron diffraction on fluoride-ion conductors (Ba0.5Sr0.5SnF4). Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.EASY-907
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