Abstract
Intercalated compounds of H0.02NbSe2 and D NbSe2 (x = 0.41; 0.49) composition have been prepared and investigated by powder X-ray and neutron diffraction. Rietveld analysis of the data showed that hydrogen (deuterium) atoms occupy the 2(c) site with coordinates (132314) (structure type 2HTaS2 for H0.07NbSe2) and the 2(b) site with coordinates (00 14) (structure type 2HMoS2 for D0.41NbSe2 and D0.49NbSe2). According to crystallographic results it is suggested that the nature of the quasi-two-dimensional layer plays a key role in the unusual location of the hydrogen atoms, the intercalation processes and the maximum uptake of hydrogen. The results are compared with the available literature data.
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