Electronic Structure and Chemical Bonding in Lead Hexacyanoferrate |
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| Authors: | M. V. Ryzhkov T. A. Denisova V. G. Zubkov L. G. Maksimova |
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| Affiliation: | (1) Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Ekaterinburg |
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| Abstract: | This paper presents a cluster–DV study of the electronic structure of a large fragment of the crystal lattice of a new compound Pb2Fe(CN)6 having a trigonal structure. The electronic energy spectrum and electron density distribution between Fe–C, C–N, and Pb–N are discussed. |
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