Electron diffraction and microscopy study of the structure and microstructure of the hexagonal perovskite Ba3Ti2MnO 9

Christian Maunders, Harold J Whitfield, David G Hay, Joanne Etheridge

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This paper reports a structural and microstructural investigation of the hexagonal perovskite Ba3Ti2MnO9 using electron microscopy and diffraction. Convergent-beam electron diffraction (CBED) revealed the structure has the non-centrosymmetric space group P63mc (186) at room temperature and at ∼ 110 K. Compared with the centrosymmetric parent structure BaTiO3, with space group P63/mmc, this represents a break in mirror symmetry normal to the c axis. This implies the Ti and Mn atoms are ordered on alternate octahedral sites along the 〈0001〉 direction in Ba3Ti2MnO9. Using high-resolution electron microscopy (HREM), we observed occasional 6H/12R interfaces on (0001) planes, however, no antiphase boundaries were observed, as were seen in Ba3Ti2RuO9. Using powder X-ray Rietveld refinement we have measured the lattice parameters from polycrystalline samples to be a = 5.6880 ± 0.0005, c = 13.9223 ± 0.0015 Å at room temperature.
Original languageEnglish
Pages (from-to)390 - 395
Number of pages6
JournalActa Crystallographica Section B: Structural Science
Issue number3
Publication statusPublished - 2007

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