会议专题

Effect of the cation size on the framework structures of magnesium tungstate,A4Mg(WO4)3(A = Na,K),R2Mg2(WO4)3(R = Rb,Cs)

  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.

Shujuan Han Ying Wang Qun Jing Hongping Wu Shilie Pan Zhihua Yang

Key Laboratory of Functional Materials and Devices for Special Environments of CAS;Xinjiang Key Labo Key Laboratory of Functional Materials and Devices for Special Environments of CAS;Xinjiang Key Labo

国内会议

第八届国际分子模拟与信息技术应用学术会议

大连

英文

771-778

2016-09-24(万方平台首次上网日期,不代表论文的发表时间)