Lithium-Richest Phase of Lithium Tetrelides Li17Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride

The lithium-richest phase in the binary Li-Tt system (Tt = Si, Ge, Sn, and Pb) has a stoichiometry of Li17Tt4. In the beginning of this paper, the structural complexity of Li17Tt4 is gradually stripped away using the concept of the M26 cluster found in γ-brass structures and a Tt-centered polyhedral...

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Veröffentlicht in:	Bulletin of the Chemical Society of Japan 2019, Vol.92 (7), p.1154-1169
Hauptverfasser:	Tsuji, Yuta, Hashimoto, Wataru, Yoshizawa, Kazunari
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding Chemical bonds Crystal structure Electron density Electron spin Electronic structure Electrons First principles Germanium Lead Lithium Silicon Stoichiometry Tin
Online-Zugang:	Volltext
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