Accurate site-occupancies of Cu and Zn in inverse CuxZn2 - xTiO4 spinel from powder neutron diffraction
Zn2TiO4, pure or doped, is a versatile host material, ideal for engineering optical and magnetic properties. Our recent x-ray diffraction (XRD) and Raman spectroscopy experiments have revealed that Cu2+ incorporates in both the octahedral and tetrahedral sites of CuxZn2-xTiO4 inverse spinel up to x = 0.6, but the maximal concentration of Cu2+ in the tetrahedral sites is currently unknown. In order to understand the material for future applications, the site occupancies for solid solutions with different Cu-concentrations have to be determined. XRD is not appropriate to solve this question since in CuxZn2-xTiO4, Cu2+ substitutes Zn2+ and these two elements differ by only one electron. Hence, the XRD structure factors are nearly identical and site occupancies cannot be obtained from powder data. With a difference of the coherent neutron scattering cross section between Cu and Zn of 3.432 barns, neutron diffraction is ideally suited to resolve this question. To minimize the effect of temperature, the measurements should be performed at low temperatures. We propose to study the site occupancies of Cu2+ and Zn2+ in CuxZn2-xTiO4 inverse spinel solid solutions with neutron diffraction.
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RUIZ FUERTES Javier; HE Man; SUARD Emmanuelle and WINKLER Bjoern. (2015). Accurate site-occupancies of Cu and Zn in inverse CuxZn2 - xTiO4 spinel from powder neutron diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-21-1089
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