Topics in Catalysis

, 54:614 | Cite as

Improvement of the Structural Model for the M1 Phase Mo–V–Nb–Te–O Propane (Amm)oxidation Catalyst

  • Xin Li
  • Douglas J. Buttrey
  • Douglas A. Blom
  • Thomas Vogt
Original Paper


An improved structural model for the M1 phase in the Mo–V–Nb–Te–O propane (amm)oxidation catalyst has been refined after accounting for a molybdenum-substituted-V2O5 impurity and by making adjustments based on aberration-corrected imaging results. The newly refined unit cell has Pba2 symmetry with a = 21.134(1) Å, b = 26.647(1) Å, c = 4.0140(2) Å, and Z = 4, in good agreement with our earlier findings (DeSanto et al. Top Catal 23:23 [20], DeSanto et al. Z Kristallogr 219:152 [22]). From the newly refined occupancies, the formula unit is {TeO}0.86(1)·Mo7.48(6)V1.52(6)NbO28. As in the earlier models, V is concentrated in sites that link the pentagonal rings of M1. Careful analysis of bond valences, in combination with the electroneutrality constraint, suggest that the linking sites S3, S4, and S7 all have mixed Mo/V occupancies and valences (d 1/d 0). Furthermore, these sites may contain a mix of Mo5+ and V5+, which is consistent with the proposed catalytic mechanism in which V5+ plays an important role in propane activation.


M1 catalyst Propane (amm)oxidation Rietveld refinement Bond valence sum Hydrogen abstraction 



We would like to acknowledge the U.S. Department of Energy for having provided support for beamline X7A at the National Synchrotron Light Source at Brookhaven National Laboratory (no. DEAC02-98CH10886), although this beamline is no longer in operation. We also acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce, in providing the neutron research facilities providing the foundation on which this work was built. TV and DAB would like to thank the National Academies Keck Future Initiative and the Korean Ministry of Science, Education and Technology for funding.


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Copyright information

© Springer Science+Business Media, LLC 2011

Authors and Affiliations

  • Xin Li
    • 1
  • Douglas J. Buttrey
    • 1
  • Douglas A. Blom
    • 2
  • Thomas Vogt
    • 3
  1. 1.Department of Chemical Engineering, Center for Catalytic Science and TechnologyUniversity of DelawareNewarkUSA
  2. 2.NanoCenter and Electron Microscopy CenterUniversity of South CarolinaColumbiaUSA
  3. 3.NanoCenter and Department of Chemistry and BiochemistryUniversity of South CarolinaColumbiaUSA

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