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- W2953288005 abstract "A novel gas pressure cell for in situ neutron powder diffraction has been developed. It is based on a single crystal sapphire tube as a sample holder, allows a 360° unobstructed access by the neutron beam and has little background contribution. This device was used to study the hydrogenation of α-MgPd3, which undergoes a hydrogen driven rearrangement from a ZrAl3 to a AuCu3 type structure. Deuterium could be located and a strong preference of [Pd6] voids was found in α-MgPd3D0.79 under 5 bar and in α-MgPd3D0.94 under 20 bar deuterium pressure. The crystal structure may be described as a new defect superstructure variant of the NaCl type. In situ thermal analysis under 5 bar hydrogen pressure showed that both the hydrogen uptake of α-MgPd3, which is complete at temperatures below 450 K, and the transformation to the hydride of cubic β-MgPd3, starting around 550 K, are exothermic. This completion of the hydrogenation-dehydrogenation series of MgPd3 suggests, that the rearrangement of the metal structure proceeds by a hydrogen assisted gliding mechanism with a shift vector of [110]. This is also supported by quantum chemical calculations, which show a decohesion of the intermetallic structure upon hydrogenation accompanied by the appearance of Pd–H bonding interactions." @default.
- W2953288005 created "2019-06-27" @default.
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- W2953288005 date "2010-03-02" @default.
- W2953288005 modified "2023-09-23" @default.
- W2953288005 title "ChemInform Abstract: In situ Neutron Powder Diffraction on Intermediate Hydrides of MgPd3in a Novel Sapphire Gas Pressure Cell." @default.
- W2953288005 cites W2042166419 @default.
- W2953288005 doi "https://doi.org/10.1002/chin.201009005" @default.
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