【摘 要】
：
A series of alkali metal magnesium tungstates,A4Mg(WO4)3(A = Na,K),R2Mg2(WO4)3(R = Rb,Cs),were synthesized from a high temperature solution,and their struct
【机 构】
：
Key Laboratory of Functional Materials and Devices for Special Environments of CAS
【出 处】
：
第八届国际分子模拟与信息技术应用学术会议
论文部分内容阅读
A series of alkali metal magnesium tungstates,A4Mg(WO4)3(A = Na,K),R2Mg2(WO4)3(R = Rb,Cs),were synthesized from a high temperature solution,and their structures were determined by single-crystal X-ray diffraction.Interestingly,Na4Mg(WO4)3 crystallizes in the monoclinic space group C2/c,while K4Mg-(WO4)3 having an identical stoichiometry with Na4Mg(WO4)3,exhibits a different framework structure belonging to triclinic symmetry with the space group P1ˉ.Isostructural Rb2Mg2(WO4)3 and Cs2Mg2(WO4)3 crystallize in the space group P213 of cubic symmetry and reveal a three dimensional framework composed of isolated WO4 tetrahedra,MgO6 octahedra and RO12(R = Rb,Cs)polyhedra.The effect of the alkali metal cation size on the framework structures of magnesium tungstate has been discussed in detail.In addition,the infrared spectra,as well as the UV-Vis-NIR diffuse reflectance spectroscopy data,are reported.The first-principles theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties.
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