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Original Articles

Atomic displacements in the charge-density wave induced superstructure of 4Hb-TaSe2

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Pages 305-315 | Received 03 Jan 1979, Accepted 26 May 1979, Published online: 20 Aug 2006
 

Abstract

The commensurate state of 4Hb-TaSe2 has been studied at room temperature by X-ray single-crystal diffraction methods. The in-plane Ta atomic displacements have been determined. It is shown that clusters of 13 Ta atoms can be isolated and correspond to an attractive interaction between metal atoms. Correspondingly, the Ta-Ta interatomic distances range from about 3·26 to 3·86 A. We also find, at least in bulk materials, that the two twin-related layer variants, α and β, are not completely stacked at random as suggested by previous electron diffraction experiments and by consideration of trigonal prismatic sandwich screening.

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