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- W1977065883 abstract "Structural models are proposed for three composite compounds of chemical formula Ba1 + x [(NaxMn1 – x)O3] (x approx. 2/7, 5/17 and 1/3) by single crystal X-ray diffraction; superspace formalism is used to obtain an unified description of the three phases. The modulation affecting Ba atoms can be easily designed but the competition “occupational/displacive” modulations relating to the Mn/Na metallic columns were particularly difficult to modelize. However, the large amplitude of the displacive modulation affecting the oxygen atoms (approx. ±0.7 Å) in comparison with that observed for related compounds (approx. ±0.3 Å) makes it a direct consequence of the Na+ alkali insertion inside the trigonal prisms. Owing to this insertion, the Mn atoms exhibit, in the three phases, an “exotic” oxidation state of about +4.5. In addition, even if the sequence between face sharing MnO6 octahedra and NaO6 trigonal prisms can be analytically deduced from the x value, it is clear that the Na/Mn contrasts play in favour of its accurate determination through the XRD single crystal refinement." @default.
- W1977065883 created "2016-06-24" @default.
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- W1977065883 date "2010-01-01" @default.
- W1977065883 modified "2023-10-17" @default.
- W1977065883 title "Structural investigation of composite phases Ba1 + x [(NaxMn1 – x)O3] with x approx. 2/7, 5/17 and 1/3; exotic Mn4.5+ valence" @default.
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- W1977065883 doi "https://doi.org/10.1524/zkri.2010.1206" @default.
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