Structural characterisations of the NaxSi136 and Na8Si46 silicon clathrates using the Rietveld method
- 1 January 1998
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry
- Vol. 8 (12) , 2839-2844
- https://doi.org/10.1039/a804565h
Abstract
The crystal structure of the non-stoichiometric Na x Si 136 silicon clathrate has been refined using the Rietveld method, in order to determine accurately the distribution of the sodium atoms within the two available sites. In agreement with the previous data, it was found that for x≤8, the alkali atoms occupy exclusively, and not only preferentially the eight larger Si 28 sites. For 8<x20 cages occurs gradually with increasing x, and a slight increase of the unit cell parameter is then observed. The crystal structure of the stoichiometric Na 8 Si 46 clathrate, which is present as impurity in the studied samples, has also been refined.Keywords
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