Abstract
AbstractNeutron diffraction data were used to refine the structures of three scandium substituted NASICONS: Na2 ZrSc(PO4)3, R3c Na2.5 Zr1.8 Sc0.2 Si1.7 O12 R3c and Na2.7. Zr1.0 Sc0.2Si1.5 P1.5O12, C2/c. The phosphate (compound 1) exhibited oxygen disorder. The second compound exhibited a similar type of oxygen disorder but also an interstitial Na+ position. The oxygen disorder in compound 2 apparently results from the position of the interstitial Nae whereas it is suggested that the Sc site in Na2 ZrSC(PO4)3 is slightly removed from that of the Zr position, requiring a shift of phosphate groups. In contrast the monoclinic phase does not exhibit oxygen disorder and all the sodium ions reside within the cavities.
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