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- W2097743471 abstract "Abstract An approach is presented that enables the analysis and prediction of stacking sequences in intercalated lamellar vanadium phosphates. A comparison of previously reported vanadium phosphates reveals two modes of intercalation: (i) 3d transition metal ions intercalated between VOPO 4 layers and (ii) alkali/alkaline earth metal ions between VOPO 4 · H 2 O layers. Both intercalations were investigated using DFT calculations in order to understand the relative shifts of the vanadium phosphate layers. These calculations in addition to an analysis of the stacking sequences in previously reported materials enable the prediction of the crystal structures of M x (VOPO 4 ) · y H 2 O (M = Cs + , Cd 2+ and Sn 2+ ). Experimental realization and structural determination of Cd(VOPO 4 ) 2 · 4H 2 O by single‐crystal X‐ray diffraction confirmed the predicted stacking sequences." @default.
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- W2097743471 date "2015-03-06" @default.
- W2097743471 modified "2023-10-15" @default.
- W2097743471 title "Analysis and Prediction of Stacking Sequences in Intercalated Lamellar Vanadium Phosphates" @default.
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- W2097743471 doi "https://doi.org/10.1002/ejic.201403210" @default.
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