New Members of SHG Active Dugganite Family, A3BC3D2O14 (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V): Synthesis, Structure, and Materials Properties

A family of compounds, A₃BC₃D₂O₁₄ (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V), with the Dugganite structure was prepared employing traditional solid-state chemistry methods. PXRD and Rietveld refinement studies indicate that the compounds are stabilized in P321 space group (no. 150). The compounds are found to be SHG active with values ranging from 1.9 to 15.0 × KDP. The compounds exhibit high dielectric constants and low loss in our studies. The noncentrosymmetry related properties of the new Dugganites were understood by band structure calculations. We also explored the present Dugganite-structured oxides for the development of new inorganic colored materials by substituting Co²⁺, Ni²⁺, Cu²⁺, and Fe³⁺ in place of Zn²⁺. Thus, substitution of Co²⁺ and Fe³⁺ together tunes the blue color of the cobalt compound to blue-green color arising from metal-to-metal charge transfer (MMCT) of Fe³⁺ and Co²⁺ ions. The tetrahedrally coordinated Ni²⁺ in the Dugganite imparts a magenta color.