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Tuning Complexity by Lithiation: A Family of Intergrowth Structures Using Condensed hypho-Icosahedra in the Li-Doped Ca-Zn System

TitleTuning Complexity by Lithiation: A Family of Intergrowth Structures Using Condensed hypho-Icosahedra in the Li-Doped Ca-Zn System
Publication TypeJournal Article
Year of Publication2016
AuthorsLin, QS, Zhu, R, Miller, GJ
JournalInorganic Chemistry
Volume55
Pagination5041-5050
Date Published05
Type of ArticleArticle
ISBN Number0020-1669
Accession NumberWOS:000376144000039
Keywordsalloys, chemistry, crystal-structures, earth, Intermetallic compounds, srmg4, zintl phases
Abstract

th a 9.183(1) A, c 45.191(5) A), and.Z = 2. Both structures are members of a large dritergrowth family featuring (.3m) slabs Of dimers (D) and trimers (T) stacking along [001], with the sequences DTDDTDDTD for- Ca15LixZn59-x and TDDDTDDD for Ca15LixZn75-x Each dimer consists of two face -sharing Zn-centered hypho-icosahedra, and each trimer comprises a Li -centered icosahedron sandwiched by two hypho-icosahedra. This intergrowth family includes several known intermetallic structure types involving very electropositive metals, e.g, SrMg5.2, Ba2Li421Al4.79, and Sr9Li17.5Al25.5. Because of cluster defects and condensation, both Ca12LixZn59-x, and Ca15LixZn75-x, are electronically akin to close -packed metals, and their structural stabilities can be interpreted by a Hume-Rothery mechanism rather than the Zintl Klemm concept.

DOI10.1021/acs.inorgchem.6b00612
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Alternate JournalInorg. Chem.