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Why the structure of XeF6 is capped octahedral but not pentagonal pyramidal although there is a possibility of being pentagonal pyramidal (with lone pair below the pyramid) ?

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marked as duplicate by orthocresol Jan 2 '17 at 6:53

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It is because to minimize lone pair and bond pair repulsion. In pentagonal bipyramidal arrangement lone pair electron will occupy eqatorial position which results in more lone pair -bond pair repulsions.

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