Crystal structures and stability of NaLnF4 (Ln = La, Ce, Pr, Nd, Sm and Gd) studied with synchrotron single-crystal and powder diffraction.
Crystal structures of the NaLnF(4) 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 (P6, 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 NaPrF(4) (P3, Z = 6). It could be described using the group-subgroup relationships P6↔P3. Our observations suggest that the β structure is unstable and that the ordering is a slow process at ambient conditions. Upon compression, β-NaNdF(4), β-NaGdF(4) and the superstructure NaPrF(4) are stable to at least 8 GPa with no evidence for any pressure-induced disorder-order phenomena.
Institute of Crystallography, RWTH Aachen, 52066 Aachen, Germany. grzechnik@xtal.rwth-aachen.de
Andrzej
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Grzechnik
Karen
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Friese