Long-range A-site cation disorder in NaA(MO<inf>4</inf>)<inf>2</inf> (M = Mo, W) double scheelite oxides
- Publisher:
- ACADEMIC PRESS INC ELSEVIER SCIENCE
- Publication Type:
- Journal Article
- Citation:
- Journal of Solid State Chemistry, 2023, 321
- Issue Date:
- 2023-05-01
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1-s2.0-S0022459623000385-main.pdf | Published version | 1.62 MB |
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Synchrotron X-ray and neutron powder diffraction methods have been used to obtain accurate long-range average structures of some double scheelite compounds of the type NaA(BO4)2 (A = La, Pr, Nd, Sm, Lu, and Bi; B = Mo, W) at room temperature. Phase pure samples were synthesized using standard solid-state methods. Rietveld refinements using combined synchrotron X-ray diffraction (SXRD) and neutron diffraction (NPD) revealed a random distribution of the Na and A-type cations regardless of the presence of 6s2 lone pairs (such as Bi3+) and the difference in oxidation states and ionic radii between the cations. The NaA(BO4)2 (A = La, Pr, Nd, Sm, Lu, and Bi) series displayed linear trends in lattice parameters and AO8 polyhedra volume with the ionic radius of the A-type cation for the lanthanoids, but a deviation from the trend was observed for A = Bi3+. The NaBi(BO4)2 structure has a smaller than expected unit cell volume than based on extrapolation from the corresponding NaLn(BO4)2 series, possibly due to short-range ordering of the 6s2 lone pair electrons.
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