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- W2015303312 abstract "Powder X-ray diffraction and cryo electron diffraction techniques supported by computer simulations were used to determine the secondary structures of the series of heteropoly acid (HPA) compounds CsxH4-x PVMo11O40·nH2O (0≤x≤4). The structures of the caesium salts (2≤x≤4) are simple cubic with space group Pn3m. The free acid exhibits a triclinic lattice (P−1) for the majority of all crystals. A small fraction of thin crystals was detected with simple cubic structure (Pn3m). Computer simulations of the X-ray diffraction patterns suggested that the structure of Cs2H2PVMo11O40·5H2O contains defects in the cation lattice. The caesium ion occupancy is 2/3. [H5O2]+-groups occupy 1/3 of the cation positions. The diffraction pattern of Cs4PVMo11O40·5H2O could be simulated when only 3/4 of the anion positions are occupied. Cs3HPVMo11O40·7H2O crystallises in a simple cubic lattice without any defects. The secondary structures of the investigated heteropoly salts can, therefore, be described by a single structure with variable site occupations, with the exception of Cs3HPVMo11O40·7H2O (caesium ion occupancy of 1 and poly anion occupancy of 1). All salts belong to one phase with large stoichiometric variations. A mixture of acid and caesium salt, with the acid epitactly grown on the salts, an intergrowth-structure witii varying caesium ion content, mixed crystals as well as the coexistence of a nanocrystalline X-ray-invisible form of free acid besides caesium salt could be excluded for the partly neutralised materials. Selected physico-chemical properties of the HPA compounds, which depend on the caesium ion content, will be rationalised widi the knowledge of the secondary structures." @default.
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- W2015303312 date "1998-05-01" @default.
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- W2015303312 title "A new unifying structural model of heteropolymolybdate salts: Microstructure and thermal stability of a series of molecular oxides" @default.
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- W2015303312 doi "https://doi.org/10.1002/bbpc.19981020510" @default.
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