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R(3)Au(9)Pn (R = Y, Gd-Tm; Pn = Sb, Bi): A Link between Cu10Sn3 and Gd14Ag51

TitleR(3)Au(9)Pn (R = Y, Gd-Tm; Pn = Sb, Bi): A Link between Cu10Sn3 and Gd14Ag51
Publication TypeJournal Article
Year of Publication2017
AuthorsCelania, C, Smetana, V, Provino, A, Pecharsky, V, Manfrinetti, P, Mudring, AV
JournalInorganic Chemistry
Volume56
Pagination7247-7256
Date Published06
Type of ArticleArticle
ISBN Number0020-1669
Accession NumberWOS:000403973200054
Keywordsau-ga system, augmented-wave method, basis-set, chemistry, density-functional theory, diamond, gold cluster, icosahedral quasi-crystal, solid-state, sr2au6zn3, total-energy calculations
Abstract

properties and to shed some light on the stability ranges. This allowed a better understanding of the bonding pattern, especially of the Au-containing substructure, and elucidation of the role of the third element in the stability of the structure type.

DOI10.1021/acs.inorgchem.7b00898
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