Journal of Applied Crystallography

Volume 46, Part 4 (August 2013)


research papers



J. Appl. Cryst. (2013). 46, 1085-1093    [ doi:10.1107/S0021889813013253 ]

Symmetry-mode analysis of the phase transitions in SrLaZnRuO6 and SrLaMgRuO6 ordered double perovskites

E. Iturbe-Zabalo, J. M. Igartua and M. Gateshki

Abstract: The crystal structures of double perovskites SrLaMRuO6 (M = Zn and Mg) have been studied using X-ray and neutron diffraction data. Both compounds have monoclinic structure at room temperature with space group P21/n. A first-order structural phase transition P21/n [rightwards arrow] R{\overline 3} has been observed in SrLaZnRuO6 and SrLaMgRuO6, at about 800 and 500 K, respectively, with the two phases coexisting in a temperature interval of 150 K. The temperature- and tolerance-factor-dependent phase diagram of the SrLnMRuO6 (Ln = La, Nd and Pr; M = Zn, Co, Cu, Mg and Ni) family shows two different phase transition sequences depending on the A-site cation. The structures of the title compounds at room and high temperatures have been analyzed using the symmetry-mode decomposition approach.

Keywords: double perovskites; phase transitions; symmetry-mode analysis.


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (92.4 kbytes)
[ doi:10.1107/S0021889813013253/he5606SrLaMgRuO6_300Ksup2.rtv ]
Contains datablock profile1


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (94.6 kbytes)
[ doi:10.1107/S0021889813013253/he5606SrLaMgRuO6_773Ksup3.rtv ]
Contains datablock profile1


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (95.2 kbytes)
[ doi:10.1107/S0021889813013253/he5606SrLaZnRuO6_1173Ksup4.rtv ]
Contains datablock profile1


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (99.9 kbytes)
[ doi:10.1107/S0021889813013253/he5606SrLaZnRuO6_300Ksup5.rtv ]
Contains datablock profile1


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