Relationship between Average Cation Radii and Oxygen Parameter for Various Oxides with Spinel-Type Structure

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Abstract

For the relationship among lattice constant (a), average cation radii, and oxygen parameter (u) in oxides with a spinel structure, a theoretical equation is derived as u=(\\barrA−\\barrB)⁄{(1+\\sqrt3)a}+1.058⁄(1+\\sqrt3). Here, \\barrA is the average cation radius at tetrahedral sites, and \\barrB is the average cation radius at octahedral sites in a spinel structure. This equation means that u is expressed as a linear function of (\\barrA−\\barrB)⁄a. In this study, the validity of the above equation was comprehensively investigated using various values based on the cation distributions containing the u parameter reported by other researchers. The cation radii reported by Shannon were applied. As a result, the plotted points were found to lie almost on the theoretical line, although the points were concentrated in a local region. Therefore, it was concluded that the reported values of u and the average radii calculated on the basis of the cation distributions are generally reasonable.

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