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From the Ternary Eu(Au/In)(2) and EuAu4(Au/In)(2) with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)(6) Structure

TitleFrom the Ternary Eu(Au/In)(2) and EuAu4(Au/In)(2) with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)(6) Structure
Publication TypeJournal Article
Year of Publication2015
AuthorsSteinberg, S, Card, N, Mudring, AV
JournalInorganic Chemistry
Volume54
Pagination8187-8196
Date Published09
Type of ArticleArticle
ISBN Number0020-1669
Accession NumberWOS:000361085800008
Keywordsau-frameworks, augmented-wave, bacd11-type structure, Coloring, electronic-structure, hamilton populations, icosahedral quasi-crystal, intermetallic phases, method, problem, structure, total-energy calculations, ybmo2al4-type
Abstract

models employed the TB-LMTO-ASA method and reveals that the subtle interplay between the local atomic environments and the bond energies determines the structural and site preferences for these systems.

DOI10.1021/acs.inorgchem.5b00257
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