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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

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Volume 227, Issue 5


Development of the local and average structure of a V–Mo–Nb oxide catalyst with Mo5O14-like structure during synthesis from nanostructured precursors

Tatyana Kardash / Ludmilla M. Plyasova / Dmitry I. Kochubey / Valentina M. Bondareva / Reinhard B. Neder
  • 4 University of Erlangen-Nürnberg, Institut für Kristallographie und Strukturphysik, Erlangen, Deutschland
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Published Online: 2012-02-17 | DOI: https://doi.org/10.1524/zkri.2012.1507


A combination of X-ray and neutron PDF measurements with powder diffraction and EXAFS data was used to determine the structures of a V—Mo—Nb-oxide catalyst and its poorly crystallized precursors that exhibit the strongest catalytic activities. The crystalline material belongs to space group P-4 21m, a = 22.8, c = 4.002, and is build up of pentagonal MeO7 bipyramids surrounded by edge sharing Me-octahedrons (Me = Mo, V, Nb). In the average structure all MeO7 units are at the same z-level, while the local structure analysis shows systematic shifts along [001]. Samples synthesized at 300 °C and 400 °C exhibit a nanostructure, whose local structure predates the final crystalline structure. Initial nanoparticles are spherical and grow predominantly along the c-axis. The successful analysis required a reverse analysis that took the crystalline material as starting model for the samples synthesized at lower temperatures.

Keywords: Catalysis; Pair distribution function; Neutron powder diffraction; Disorder

About the article

* Correspondence address: Boreskov Institute of Catalysis, Pr. Lavrentieva 5, 630090 Novosibirsk, Russische Föderation,

Published Online: 2012-02-17

Published in Print: 2012-05-01

Citation Information: Zeitschrift für Kristallographie Crystalline Materials, Volume 227, Issue 5, Pages 288–298, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2012.1507.

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