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Synthesis and Structure of Ba5(V2O7)2Cl2

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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.

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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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Authors and Affiliations

  1. Department of Chemistry, Clemson University, 29634-0973, Clemson, SC, USA

    K. G. Sanjaya Ranmohotti, Wendy L. Queen, J. Palmer West, Don VanDerveer & Shiou-Jyh Hwu

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  1. K. G. Sanjaya Ranmohotti
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  2. Wendy L. Queen
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  3. J. Palmer West
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  4. Don VanDerveer
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  5. Shiou-Jyh Hwu
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Correspondence to Shiou-Jyh Hwu.

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Ranmohotti, K.G.S., Queen, W.L., West, J.P. et al. Synthesis and Structure of Ba5(V2O7)2Cl2 . J Chem Crystallogr 39, 303–307 (2009). https://doi.org/10.1007/s10870-008-9477-9

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  • DOI: https://doi.org/10.1007/s10870-008-9477-9

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