The presentation shows the main points from the publication "Direct space structure solution from precession electron diffraction data: Resolving heavy and light scatterers in Pb13Mn9O25" about how thee structure of Pb13Mn9O25 was solved using transmission electron microscopy.

1. Pb13Mn9O25, a complex oxide
solved from transmission
electron microscopy data

2. Ultramicroscopy 110
(2010) 881–890

3. Problem to solve
New unknown
compound in multiple
phased sample
All phases
perovskite based
Peaks overlap in X-
ray data, so no
solution from that

4. So we turn to the
transmission electron
microscope...

5. Electron diffraction
gives us the cell
parameters and
space group.

6. a=b=14.2 Å=ap√13
c=3.9 Å=ap
P4/m

7. EELS and EDX
give us the
composition.

8. Pb13Mn9O5

9. We collect the
intensities of the
reflections from
precession
electron
diffraction data.

10. We feed the
intensities and all
collected data to
direct methods
(SIR2008)

11. Pb
Mn
Perovskite subcell
Out comes a
solution for the
cation
positions.
Mn-vacancy

12. Pb
Mn
Perovskite subcell
There are
ordered
manganese
vacancies.
Mn-vacancy

13. But where is
the oxygen?

14. HAADF-STEM
confirms that Mn is
missing, but gives
no info on oxygen

15. We find the oxygen with
a global optimization in
direct space (FOX) using
the output from direct
methods as input.

16. Structure is solved with ...
two solutions !?

17. E = -7.42 eV E = -11.1 eV
Structure optimisation
favors one model

18. The calculated images
for this model agree well
with the experimental
HREM images

19. Joke Hadermann, Artem M. Abakumov, Alexander
A. Tsirlin, Mauro Gemmi, Hans D’Hondt, Vladimir
P.Filonenko, Julie Gonnissen, Haiyan Tan, Johan
Verbeeck, HelgeRosner, EvgenyV.Antipov
All precise details and data can be found in the
publication
Ultramicroscopy 110 (2010) 881–890
by the authors
Direct space structure solution from
precession electron diffraction data:
Resolving heavy and light
scatterers in Pb13Mn9O25