Investigation of Cr structural positions in spinel with the use of x-ray emission spectra and cluster calculations

Abstract

The electronic structure of Cr ions in tetrahedral and octahedral environment was investigated. With the use of X-ray emission spectra and the results of cluster DV calculations of spinel the dependence between Cr - site coordination and the structure of Cr3d states is evaluated. The comparison of X-ray emission spectra of chromium states in spinel and other compounds and complexes such as Cr2O72-, CrO42-, Cr(CO)6, Cr2O3 was made. Copyright © 2002 John Wiley & Sons, Ltd.