We describe the syntheses, crystal structures, and optical absorption studies of the transition‐metal‐substituted corundum‐related oxides (MM′)₃TeO₆ (M = Mg, Mn, Co, Ni, Zn; M′ = Mg, Mn, Co, Ni, Cu). The oxides are readily synthesized by the solid‐state reactions of stoichiometric mixtures of the constituent binaries at 750–860 °C. The Rietveld refinements of the crystal structures from the powder X‐ray diffraction (XRD) data show that the Mg/Mn/Ni/Co/ZnO₆ octahedra are distorted. We have interpreted the unique colors and the optical absorption spectra of these materials in terms of the distorted coordination geometries of the Mg/Mn/Ni/Co/ZnO₆ chromophores. We have also identified the role that metal‐to‐metal charge transfer (MMCT) from the partially filled transition‐metal 3d orbitals to the empty Mo 4d orbitals plays in the color changes. We believe that the study of these transition‐metal substituted corundum oxides suggests directions for the development of colored inorganic materials featuring distorted octahedra around the 3d transition‐metal ions, as they may be useful as pigments.

中文翻译：

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探索作为有色化合物主体的刚玉结构-（MM'）₃ TeO ₆（M = Mg，Mn，Co，Ni，Zn; M'= Mg，Mn，Co，Ni，铜）

我们描述了过渡金属取代的刚玉相关氧化物（MM'）₃ TeO ₆（M = Mg，Mn，Co，Ni，Zn; M'= Mg，Mn， Co，Ni，Cu）。氧化物很容易通过在750–860°C下组成二元化学计量混合物的固相反应合成。粉末X射线衍射（XRD）数据的晶体结构的Rietveld精炼表明，Mg / Mn / Ni / Co / ZnO ₆八面体变形。我们已经根据Mg / Mn / Ni / Co / ZnO ₆的扭曲配位几何形状解释了这些材料的独特颜色和光吸收光谱发色团。我们还确定了金属到金属的电荷转移（MMCT）从部分填充的过渡金属3d轨道到空的Mo 4d轨道在颜色变化中的作用。我们相信，对这些过渡金属取代的刚玉氧化物的研究为有色无机材料的发展方向指明了方向，这些无机材料的特征是在3d过渡金属离子周围扭曲了八面体，因为它们可用作颜料。