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2005
Structure
D 2000
09- 007
Exploration of the Lithium—Aluminum—Silver System. Crystal and Electronic
Structure Analysis of New Phases Li6.98Al 4.15Ag0.87 and LiAlAg2. — The new title
compounds are synthesized by heating mixtures of the elements to 800—1000 °C for
several hours. As revealed by single crystal XRD, Li6.98Al 4.15Ag0.87 crystallizes in the
cubic space group F43m with Z = 1. LiAlAg2 crystallizes in the same space group as
indicated by powder XRD. DFT calculations show that Li6.98Al4.15 Ag0.87 should be a
good electrical conductor and the insertion of four extra Li atoms leading to a formula
close to Li11Al 4Ag would not significantly affect its energetic stability. —
(LACROIX-ORIO, L.; TILLARD*, M.; BELIN, C.; Solid State Sci. 6 (2004) 12,
1429-1437; Lab. Agregats Mol. Materiaux Inorg., CNRS, Univ. Montpellier,
F-34095 Montpellier, Fr.; Eng.) — W. Pewestorf
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