Abstract:The occupancies and spatial distribution of electrons for 4d-orbitals in pure molybdenum have been experimentally determined by a charge density study from synchrotron radiation x-ray powder diffraction. There are valence charge density maxima in interatomic positions indicating bond formation. The electron deficiencies of Γ 12 orbitals were visualized in the observed static deformation density. An electron deficiency of ∼0.5 was observed from the orbital population analysis through multipole refinement. The o… Show more
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