Abstract
Ba analogues of hewettite (CaV6O16·9H2O) were synthesized by the hydrothermal methods. The compounds exhibit two phases formulated by BaV6O16·nH2O and Ba1+xV6O16·nH2O (x≈0.2,n≈3), and the structure of BaV6O16·nH2O has been determined from a single crystal study. It crystallizes in the orthorhombic systemPnmmwitha=12.162(3) Å,b=10.841(4) Å,c=17.035(4) Å, andZ=6 and the structure refinements led toR=0.066 andRw=0.076 for 1480 reflections withI>3σ(I). The structure is basically analogous to that ofγ-Li1+xV3O8or CaV6O16·9H2O, consisting of V6O16layers and interstitial hydrated Ba atoms. The V6O16layers stack along thecaxis with 8.518-Å spacing which is half of thecaxis; adjacent layers are mirror images of each other. Ba atoms reside in three kinds of sites with totally different oxygen coordinations. Their interlayer distributions result in another long period along thebaxis which is triple the ordinary 3.6-Å period of the hewettite compounds. This is the first single-crystal structural study of the synthetic hewettite compounds.
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