Electronic structure, physical properties and ionic mobility of LiAg2Sn
Journal of Materials Chemistry Pub Date: 2003-08-15 DOI: 10.1039/B306855M
Abstract
The stannide LiAg2Sn was synthesized from the elements by reaction in a sealed tantalum tube in a resistance furnace. LiAg2Sn crystallizes with a ternary ordered version of the cubic BiF3 structure, space group Fm![[3 with combining macron]](https://www.rsc.org/images/entities/char_0033_0304.gif)
m: a
= 659.2(2) pm, wR2 = 0.0450, 69 F2 values, 5 variables. The silver and tin atoms form an antifluorite structure of composition Ag2Sn (285 pm Ag–Sn) in which the lithium atoms fill octahedral voids. Electronic structure calculations reveal weak Ag–Ag and strong Ag–Sn bonding within the Ag2Sn substructure. LiAg2Sn is weakly Pauli paramagnetic and a good metallic conductor. Nevertheless, the modestly small 7Li Knight shift is consistent with a nearly complete state of lithium ionization. The high local symmetry at the tin site is reflected by the absence of a nuclear electric quadrupolar splitting in the 119Sn M?ssbauer
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Journal Name：Journal of Materials Chemistry
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