Abstract
The electron density distribution of Al6Mn has been studied by a single-crystal x-ray diffraction method. The maximum-entropy method (MEM) is used to construct the electron density distribution (EDD). In the EDD maps, strong covalent bonds between Al atoms and Mn atoms are visible. The number of electrons belonging to each atom and the charge transfer from Al atoms to an Mn atom have been derived from the EDD maps. The negative valence was estimated to be -1.46 for an Mn atom. This negative valence can be understood to be the charge transfer due to the covalent bond with a strong ionic character. These results were compared with pair-potential calculations and band-structure calculations.
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