Abstract
The distribution of guest molecules of hexachloroethane along the axes of clathrate framework channels is described. There are two types of domains (regions of regular arrangement of guest molecules), alternating inside the channels and separated by domain walls. The domain walls are very stable in form. Reasons for the soliton-like motion of the domains along the channel axes are revealed.
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Translated fromZhurnal Struktumoi Khimii, Vol. 38, No. 5, pp. 857–867, September-October, 1997.
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Semenov, A.R., Chekhova, G.N., Krieger, Y.G. et al. Computer simulation of the incommensurate structure of channel clathrates of thiourea by the atom-atomic potential method. J Struct Chem 38, 716–724 (1997). https://doi.org/10.1007/BF02763883
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DOI: https://doi.org/10.1007/BF02763883