Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm(x)Yb(2−x)TiO5 series

A series of single phase compounds with nominal stoichiometry Sm(x)Yb(2−x)TiO5 (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln2TiO5 series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P63/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. © 2014, Elsevier Inc.

Keywords

Stoichiometry, Crystal structure, Phase transformations, X-ray diffraction, Neutron diffraction, Electron microscopy

Citation

Aughterson, R. D., Lumpkin, G. R., Reyes, M. D. l., Sharma, N., Ling, C. D., Gault, B., Smith, K. L., Avdeev, M., & Cairney, J. M. (2014). Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm(x)Yb(2−x)TiO5 series. Journal of Solid State Chemistry, 213, 182-192. doi:10.1016/j.jssc.2014.02.029