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Journal of Chemical Crystallography

, Volume 39, Issue 4, pp 303–307 | Cite as

Synthesis and Structure of Ba5(V2O7)2Cl2

  • K. G. Sanjaya Ranmohotti
  • Wendy L. Queen
  • J. Palmer West
  • Don VanDerveer
  • Shiou-Jyh HwuEmail author
Original Paper

Abstract

A new barium chlorovanadate, Ba5(V2O7)2Cl2, was isolated by a high-temperature (850 °C) reaction employing a CsCl/RbCl flux. The structure was determined by single crystal X-ray diffraction methods. This compound crystallizes in an orthorhombic crystal system, Pmmn (No. 59), with a = 11.558(2) Å, b = 15.164(3) Å, c = 10.023(2) Å, Z = 4 and V = 1756.7(6) Å3. The structure of Ba5(V2O7)2Cl2 was determined by full-matrix, least-squares methods with R 1 = 0.0398, wR 2 = 0.1069 and GOF = 1.048 for all data. This new structure can be described as a composite lattice made up of mixed covalent and ionic moities. The extended framework is orchestrated by stacked [Ba(V2O7)Cl]3− slabs that are interconnected by Ba2+ cations through Ba–O bonds to the [V2O7] units. The Ba2+ and Cl- ions form BN-type “[BaCl]” sheets with pseudo-hexagonal windows that are centered by [V2O7]4− pyrovanadate units.

Graphical Abstract

The structure of a new chlorovanadate, Ba5(V2O7)2Cl2, exhibits an interesting BN-type salt lattice that consists of an extended [BaCl] sheet containing pseudo-hexagonal windows that are centered by [V2O7] pyrovanadate units.

Keywords

Vanadate Chlorovanadate Channel structure Barium chloride salt Hybrid solid 

Notes

Acknowledgements

We gratefully acknowledge continued financial support from the National Science Foundation (NSF) for this research (DMR-0322905, 0706426), as well as the support for purchases of X-ray diffractometer (CHE-9808165).

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Copyright information

© Springer Science+Business Media, LLC 2008

Authors and Affiliations

  • K. G. Sanjaya Ranmohotti
    • 1
  • Wendy L. Queen
    • 1
  • J. Palmer West
    • 1
  • Don VanDerveer
    • 1
  • Shiou-Jyh Hwu
    • 1
    Email author
  1. 1.Department of ChemistryClemson UniversityClemsonUSA

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