AN OBSERVATION OF LOCALIZED 3D ELECTRON-DENSITY DISTRIBUTION OF FE3O4

Measurement of X-ray diffraction data using WK alpha (lambda = 0.20889 Angstrom) radiation was carried out on Fe3O4 at room temperature. Dat a were analyzed using the maximum entropy method (MEM). The electron d ensity distribution of the (1 0 0) and (1 1 0) planes of Fe3O4 are exa mined in detail. Electron density associated with a covalent bond betw een oxygen and Fe3+ ions could be observed at the tetrahedral sites. F urthermore, after subtraction of the core electrons sharp peaks were c learly observed, corresponding to d gamma and d epsilon energy states of the d-orbital of the Fe ions. (C) 1998 Elsevier Science B.V. All ri ghts reserved.