2019
DOI: 10.1016/j.rinma.2019.100038
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Cation disorder in Sr0.67Ba0.33Nb2O6 assessed by aberration corrected stem

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“…The general assumption for the cation configuration is that Sr 2+ is mainly occupying the smaller A1 site, while Ba 2+ is mainly occupying the larger A2 site. Additionally, there is a possibility for mixed occupancy on both sites, as reported for the filled TTB, Ba 4 Na 2 Nb 10 O 30 (BNN), having approximately ∼10% of the larger Ba 2+ going to the smaller A1 site. , Several works have thus studied the cation configuration in SBN: X-ray powder diffraction, , combined neutron and X-ray powder diffraction, X-ray single-crystal diffraction, ,, transmission electron microscopy (TEM), and density functional theory (DFT) . However, owing to subtleties in the SBN structure and chemistry, which will be introduced in detail below, it is not clear how these diffraction studies could reliably obtain accurate site occupancies with the exception of the combined neutron and X-ray powder diffraction work.…”
Section: Introductionmentioning
confidence: 99%
“…The general assumption for the cation configuration is that Sr 2+ is mainly occupying the smaller A1 site, while Ba 2+ is mainly occupying the larger A2 site. Additionally, there is a possibility for mixed occupancy on both sites, as reported for the filled TTB, Ba 4 Na 2 Nb 10 O 30 (BNN), having approximately ∼10% of the larger Ba 2+ going to the smaller A1 site. , Several works have thus studied the cation configuration in SBN: X-ray powder diffraction, , combined neutron and X-ray powder diffraction, X-ray single-crystal diffraction, ,, transmission electron microscopy (TEM), and density functional theory (DFT) . However, owing to subtleties in the SBN structure and chemistry, which will be introduced in detail below, it is not clear how these diffraction studies could reliably obtain accurate site occupancies with the exception of the combined neutron and X-ray powder diffraction work.…”
Section: Introductionmentioning
confidence: 99%