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Issue 34, 2012
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Crystal structures and stability of NaLnF4 (Ln = La, Ce, Pr, Nd, Sm and Gd) studied with synchrotron single-crystal and powder diffraction

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Abstract

Crystal structures of the NaLnF4 materials (Ln = La, Ce, Pr, Nd, Sm or Gd) were studied with synchrotron single-crystal and powder diffraction. The materials with Ln = La, Ce, Nd, Sm and Gd have the average β structure (P[6 with combining macron], Z = 1) with partial ordering of the cations. A new type of a superstructure due to ordering of the cations and vacancies was found in NaPrF4 (P3, Z = 6). It could be described using the group–subgroup relationships P[6 with combining macron]P3. Our observations suggest that the β structure is unstable and that the ordering is a slow process at ambient conditions. Upon compression, β-NaNdF4, β-NaGdF4 and the superstructure NaPrF4 are stable to at least 8 GPa with no evidence for any pressure-induced disorder–order phenomena.

Graphical abstract: Crystal structures and stability of NaLnF4 (Ln = La, Ce, Pr, Nd, Sm and Gd) studied with synchrotron single-crystal and powder diffraction

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Publication details

The article was received on 21 Mar 2012, accepted on 04 Jun 2012 and first published on 13 Jul 2012


Article type: Paper
DOI: 10.1039/C2DT30650F
Citation: Dalton Trans., 2012,41, 10258-10266
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    Crystal structures and stability of NaLnF4 (Ln = La, Ce, Pr, Nd, Sm and Gd) studied with synchrotron single-crystal and powder diffraction

    A. Grzechnik and K. Friese, Dalton Trans., 2012, 41, 10258
    DOI: 10.1039/C2DT30650F

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