Journal of Applied Crystallography

Volume 46, Part 3 (June 2013)


research papers



J. Appl. Cryst. (2013). 46, 644-648    [ doi:10.1107/S0021889813010546 ]

Structural study of Yb1-xTbxMnO3 manganites: site occupancy and coexistence of hexagonal and orthorhombic phases

M. E. Bolívar Guarín, A. de M. Moreira and N. L. Speziali

Abstract: Polycrystalline samples of mixed Yb1-xTbxMnO3 (x = 0, 0.25, 0.50, 0.75 and 1) were prepared by a solid state reaction procedure. Detailed crystal structure studies were performed using X-ray diffraction data obtained at room temperature. The application of the Rietveld method confirmed the reported hexagonal P63cm and orthorhombic Pnma phases for x = 0 (YbMnO3) and x = 1 (TbMnO3), respectively. A single hexagonal phase was also observed for x = 0.25, while in the case of x = 0.50 and x = 0.75 both phases coexist in the produced samples. Crystallographic parameters for the pure compounds are in agreement with those found in the literature. Changes in the lattice parameters, unit-cell volume, polyhedral distortions and tilting observed in the mixed compounds are explained as a function of x. Sharing of Tb3+ and Yb3+ ions between different sites is discussed.

Keywords: manganites; Rietveld refinement; site occupancy; phase coexistence; multiferroics.


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (203.8 kbytes)
[ doi:10.1107/S0021889813010546/fs5035TbMnO3sup2.rtv ]
Contains datablock TbMnO3


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (203.3 kbytes)
[ doi:10.1107/S0021889813010546/fs5035Yb25Tb75sup4.rtv ]
Contains datablock Yb25Tb75


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (211.8 kbytes)
[ doi:10.1107/S0021889813010546/fs5035Yb50Tb50sup6.rtv ]
Contains datablock Yb50Tb50


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (205.6 kbytes)
[ doi:10.1107/S0021889813010546/fs5035Yb75Tb25sup8.rtv ]
Contains datablock Yb75Tb25


rtvdisplay fileplot datadownload file

Rietveld powder data file (CIF format) (205.6 kbytes)
[ doi:10.1107/S0021889813010546/fs5035YbMnO3sup10.rtv ]
Contains datablock YbMnO3


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