Defects and impurities in jarosite: A computer simulation study

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Defects and impurities in jarosite: A computer simulation study

Computer modelling techniques involving a rigid ion model have been used to investigate the defect structure and impurity site preferences in end-member K-jarosite. Calculated intrinsic vacancy energies show that the K2SO4 neutral cluster, with an energy per species of 1.34 eV, will be the most comm...

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Bibliographic Details
Main Authors:	Wright, Kathleen, Smith, A., Hudson-Edwards, K., Dubbin, W.
Format:	Journal Article
Published:	Elsevier 2006
Online Access:	http://hdl.handle.net/20.500.11937/5148

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