| Record |
| Author |
Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Filonenko, V.P.; Gonnissen, J.; Tan, H.; Verbeeck, J.; Gemmi, M.; Antipov, E.V.; Rosner, H. |
| Title |
Direct space structure solution from precession electron diffraction data: resolving heavy and light scatterers in Pb13Mn9O25 |
Type |
A1 Journal article |
Year  |
2010 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
110 |
Issue |
7 |
Pages |
881-890 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The crystal structure of a novel compound Pb13Mn9O25 has been determined through a direct space structure solution with a Monte-Carlo-based global optimization using precession electron diffraction data (a=14.177(3) Å, c=3.9320(7) Å, SG P4/m, RF=0.239) and compositional information obtained from energy dispersive X-ray analysis and electron energy loss spectroscopy. This allowed to obtain a reliable structural model even despite the simultaneous presence of both heavy (Pb) and light (O) scattering elements and to validate the accuracy of the electron diffraction-based structure refinement. This provides an important benchmark for further studies of complex structural problems with electron diffraction techniques. Pb13Mn9O25 has an anion- and cation-deficient perovskite-based structure with the A-positions filled by the Pb atoms and 9/13 of the B positions filled by the Mn atoms in an ordered manner. MnO6 octahedra and MnO5 tetragonal pyramids form a network by sharing common corners. Tunnels are formed in the network due to an ordered arrangement of vacancies at the B-sublattice. These tunnels provide sufficient space for localization of the lone 6s2 electron pairs of the Pb2+ cations, suggested as the driving force for the structural difference between Pb13Mn9O25 and the manganites of alkali-earth elements with similar compositions. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000280050900023 |
Publication Date |
2010-04-01 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
24 |
Open Access |
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| Notes |
Fwo; Bof; Esteem |
Approved |
Most recent IF: 2.843; 2010 IF: 2.063 |
| Call Number |
UA @ lucian @ c:irua:84085UA @ admin @ c:irua:84085 |
Serial |
721 |
| Permanent link to this record |
