Synthesis and Structure of Ba5(V2O7)2Cl2
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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.
KeywordsVanadate Chlorovanadate Channel structure Barium chloride salt Hybrid solid
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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