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Comment on Structural Stability and Electronic Structure for Li$_3$AlH$_6$

arXiv:cond-mat/0407232 · doi:10.1103/PhysRevB.71.216101

Abstract

Density functional calculations of the electronic structure are used to elucidate the bonding of Li$_3$AlH$_6$. It is found that this material is best described as ionic, and in particular that the [AlH$_6$]$^{3-}$ units are not reasonably viewed as substantially covalent.